{"schema":"https://ver.cy/schemas/card/1.0.0","id":"vr.tr.isoniacinamide","code":"thing-q192429","url":"https://ver.cy/models/thing/q192429/","name":"isoniacinamide","alternateNames":["Bathukamma"],"kind":"thing","status":"published","version":"0.1.0-research.1","language":"en","classifiers":{"family":"Thing Registry","category":"Physical world and living systems","entryKind":"thing","plane":"PHY","domain":["PHY.MAT"],"industry":[],"navPath":"","tags":[],"facets":{}},"whatItIs":"Isoniacinamide, commonly called isonicotinamide, is the primary amide of isonicotinic acid, with a carboxamide group at the 4-position of a pyridine ring and molecular formula C6H6N2O.","purpose":"Enable an agent to identify isoniacinamide, assess the identity and condition of a material sample, and determine its suitability for a specified chemical use.","scope":{"in":["Molecular identity and synonym resolution for isoniacinamide","Sample assay, positional-isomer impurities, water and residual solvents","Solid form, phase and condition-dependent physical properties","Solution behaviour and interactions involving the pyridine nitrogen and carboxamide group","Substance-specific hazard evidence, regulatory identifiers and suitability constraints"],"out":["Manufacturing processes and their equipment","Commercial formulations containing isoniacinamide","Separate models of nicotinamide, picolinamide, isonicotinic acid or isoniazid","Complete structures and properties of salts, coordination compounds or multicomponent crystals containing isoniacinamide","Clinical efficacy, therapeutic indications and treatment protocols"],"boundaries":[]},"distinguishingFeatures":["Resolve the name to pyridine-4-carboxamide, CAS 1453-82-3 and PubChem CID 15074; require identifier agreement with the structure. Source: [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/15074).","Verify that the carboxamide is attached at pyridine position 4; positional assignment distinguishes it from the corresponding 2- and 3-carboxamides.","Verify a primary carboxamide group, C(=O)NH2, rather than a carboxylic acid or hydrazide group when excluding related isonicotinic compounds.","Use C6H6N2O and molecular weight 122.12 g/mol as consistency checks, while recognising that formula and mass alone cannot establish substitution position. Source: [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/15074).","Distinguish the neutral single-component substance from a protonated salt or multicomponent solid before transferring reference properties."],"structure":{"bundles":[{"id":"molecular-identity","name":"Molecular identity","description":"Establish which molecular entity the registry name and a physical sample denote.","layers":[{"id":"names-and-connectivity","name":"Names and connectivity","description":"Anchor names and identifiers to the 4-substituted primary amide.","findings":[{"id":"isoniacinamide-name-resolution","name":"Isoniacinamide name resolution","description":"The identity anchor is isonicotinamide, or pyridine-4-carboxamide; retain the registry name as an alias. Source: [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/15074).","questions":[{"text":"Does the registry source resolve isoniacinamide to CAS 1453-82-3 and the same pyridine-4-carboxamide structure?","id":"isoniacinamide-name-resolution-q01","kind":"provenance"},{"text":"Which structure representation establishes the carboxamide position relative to the pyridine nitrogen?","id":"isoniacinamide-name-resolution-q02","kind":"definition"}]}]},{"id":"analytical-discrimination","name":"Analytical discrimination","description":"Distinguish label agreement from evidence identifying the actual sample.","findings":[{"id":"exclude-neighbouring-compounds","name":"Exclude neighbouring compounds","description":"Require evidence capable of separating positional isomers and detecting substitution of an acid, hydrazide or derivative for the primary amide.","questions":[{"text":"Which reference-matched NMR or chromatographic evidence discriminates the 4-carboxamide from the 2- and 3-carboxamides?","id":"exclude-neighbouring-compounds-q01","kind":"measurement"},{"text":"What evidence excludes isonicotinic acid, isoniazid and substituted isonicotinamides from the sample identity?","id":"exclude-neighbouring-compounds-q02","kind":"boundary"}]}]}]},{"id":"sample-composition","name":"Sample composition","description":"Describe how much isoniacinamide a sample contains and what accompanies it.","layers":[{"id":"assay-and-related-substances","name":"Assay and related substances","description":"Record quantitative assay and resolved impurity evidence.","findings":[{"id":"quantified-isoniacinamide-content","name":"Quantified isoniacinamide content","description":"Tie assay to a method and reporting basis, with explicit treatment of unresolved impurities and positional isomers.","questions":[{"text":"What is the isoniacinamide assay, and is it an absolute content measurement or a chromatographic area estimate?","id":"quantified-isoniacinamide-content-q01","kind":"measurement"},{"text":"Which related substances were tested for, and can the method resolve pyridinecarboxamide positional isomers?","id":"quantified-isoniacinamide-content-q02","kind":"measurement"}]}]},{"id":"water-solvents-and-lot-history","name":"Water, solvents and lot history","description":"Connect sample composition to preparation, storage and subsequent treatment.","findings":[{"id":"sample-basis-and-treatment","name":"Sample basis and treatment","description":"Record measured water and solvent content without presuming whether either is incorporated into a crystal structure.","questions":[{"text":"What water and residual-solvent contents were measured for this lot, using which methods?","id":"sample-basis-and-treatment-q01","kind":"measurement"},{"text":"After drying or recrystallisation, which assay and solid-form checks are required before recalculating usable isoniacinamide content?","id":"sample-basis-and-treatment-q02","kind":"action"}]}]}]},{"id":"physical-form-and-properties","name":"Physical form and properties","description":"Connect observed phase and solid form to thermal and dissolution measurements.","layers":[{"id":"solid-form-evidence","name":"Solid-form evidence","description":"Record experimentally supported crystalline or disordered states.","findings":[{"id":"assign-sample-solid-form","name":"Assign sample solid form","description":"Treat solid-form identity as an evidence-backed assignment, leaving uncharacterised samples unassigned.","questions":[{"text":"Which diffraction pattern or structural reference supports the sample's solid-form assignment?","id":"assign-sample-solid-form-q01","kind":"measurement"},{"text":"Does the evidence indicate single-component isoniacinamide, a solvent-containing phase or another multicomponent material?","id":"assign-sample-solid-form-q02","kind":"boundary"}]}]},{"id":"thermal-and-dissolution-response","name":"Thermal and dissolution response","description":"Capture properties under conditions relevant to preparation and use.","findings":[{"id":"conditioned-property-values","name":"Conditioned property values","description":"Require conditions and event assignments for thermal measurements and solubility data.","questions":[{"text":"What melting, transition or decomposition events are observed, and at what pressure and heating rate?","id":"conditioned-property-values-q01","kind":"measurement"},{"text":"What equilibrium solubility is measured in the intended solvent at the specified temperature and pH, and what solid phase remains?","id":"conditioned-property-values-q02","kind":"measurement"}]}]}]},{"id":"speciation-and-material-interactions","name":"Speciation and material interactions","description":"Describe how the pyridine nitrogen and carboxamide group affect solution state and participation in other materials.","layers":[{"id":"solution-speciation","name":"Solution speciation","description":"Relate acid-base evidence and solution conditions to the molecular species present.","findings":[{"id":"protonation-state-evidence","name":"Protonation-state evidence","description":"Record the equilibrium and conditions behind any pKa or speciation claim rather than assigning charge from a name.","questions":[{"text":"Which measured pKa describes which protonation equilibrium, in what solvent and temperature?","id":"protonation-state-evidence-q01","kind":"measurement"},{"text":"Does the proposed solution condition preserve the intended species and composition for the required duration?","id":"protonation-state-evidence-q02","kind":"action"}]}]},{"id":"partner-dependent-assemblies","name":"Partner-dependent assemblies","description":"Link interactions and resulting materials to their actual partners and structural evidence.","findings":[{"id":"component-versus-new-material","name":"Component versus new material","description":"Keep isoniacinamide's component role separate from the identity and properties of any resulting salt, cocrystal or coordination compound.","questions":[{"text":"Which partner and stoichiometry are present, and what evidence identifies the participating nitrogen, oxygen or amide hydrogen sites?","id":"component-versus-new-material-q01","kind":"measurement"},{"text":"What proton-location, composition or structural evidence supports classifying the product as a salt, cocrystal or coordination compound?","id":"component-versus-new-material-q02","kind":"boundary"}]}]}]},{"id":"handling-and-use-evidence","name":"Handling and use evidence","description":"Connect substance identity and sample condition to supported handling and application decisions.","layers":[{"id":"hazards-and-regulatory-identity","name":"Hazards and regulatory identity","description":"Record applicable safety and regulatory information with its source, date and identity match.","findings":[{"id":"substance-specific-safety-record","name":"Substance-specific safety record","description":"Keep classifications and exposure-limit status unresolved until supported by applicable records for this substance.","questions":[{"text":"Which current SDS and jurisdictional records match the verified isoniacinamide identity, and what GHS classifications and EC identifier do they report?","id":"substance-specific-safety-record-q01","kind":"provenance"},{"text":"Is there a substance-specific exposure limit, and which handling controls are supported for the intended quantity and physical form?","id":"substance-specific-safety-record-q02","kind":"action"}]}]},{"id":"fitness-for-intended-use","name":"Fitness for intended use","description":"Evaluate a specific application against sample evidence and documented requirements.","findings":[{"id":"application-specific-release","name":"Application-specific release","description":"Base acceptance on explicit requirements for identity, assay, impurities, form and stability; do not infer nutritional or therapeutic suitability from nomenclature.","questions":[{"text":"What limits on assay, water, impurities and solid form must this lot meet for the proposed use?","id":"application-specific-release-q01","kind":"action"},{"text":"What evidence establishes storage conditions and the retest interval needed to maintain those limits?","id":"application-specific-release-q02","kind":"provenance"}]}]}]},{"id":"evidence-and-external-alignment","name":"Evidence and external alignment","description":"What the world already says about this thing, gathered so the model can be checked against it.","layers":[{"id":"reported-evidence","name":"Reported evidence","description":"Findings from the breadth pass, kept separate from the structural claims.","findings":[{"id":"evidence-confidence-notes","name":"Check these first","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these check these first hold for the sense of isoniacinamide this model covers, and on what evidence?","id":"evidence-confidence-notes-q01","kind":"provenance"}]},{"id":"evidence-identifiers","name":"Identifiers and schemes","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these identifiers and schemes hold for the sense of isoniacinamide this model covers, and on what evidence?","id":"evidence-identifiers-q01","kind":"provenance"}]},{"id":"evidence-real-world-use","name":"Real-world use","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these real-world use hold for the sense of isoniacinamide this model covers, and on what evidence?","id":"evidence-real-world-use-q01","kind":"provenance"}]},{"id":"evidence-measurements","name":"Typical measurements","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these typical measurements hold for the sense of isoniacinamide this model covers, and on what evidence?","id":"evidence-measurements-q01","kind":"provenance"}]},{"id":"evidence-failure-modes-and-hazards","name":"Failure modes and hazards","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these failure modes and hazards hold for the sense of isoniacinamide this model covers, and on what evidence?","id":"evidence-failure-modes-and-hazards-q01","kind":"provenance"}]},{"id":"evidence-neighbours","name":"Neighbouring kinds and how to tell them apart","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these neighbouring kinds and how to tell them apart hold for the sense of isoniacinamide this model covers, and on what evidence?","id":"evidence-neighbours-q01","kind":"provenance"}]}]}]}]},"agentConduct":{"may":["Report hazard and storage information for isonicotinamide from a safety data sheet.","Describe its uses in research, such as crystal engineering, from published sources.","Track stock in a laboratory the agent is authorized to manage."],"mustNot":["Confuse isonicotinamide with nicotinamide or isoniazid in orders, records or advice.","Present it as a vitamin or supplement.","Dispose of it outside the laboratory's chemical waste process."],"requiresHuman":["Using it in any study involving animals or people."]},"ethics":{"considerations":["Mixing up similar names can put the wrong substance into an experiment or a person."],"affectedParties":["Laboratory workers","Researchers relying on results"]},"owners":{"steward":"The laboratory that holds it.","roles":[],"masterSystems":["Chemical inventories and safety data sheet systems"]},"relations":[{"target":"Q56794197","type":"parent","note":"registry parent class"}],"interaction":{"identity":{"applicability":"required","items":["Vercy registry: vr.tr.isoniacinamide","Wikidata: Q192429 (https://www.wikidata.org/wiki/Q192429)"]},"properties":{"applicability":"required","items":["Structure-linked identity: Pyridine-4-carboxamide; CAS 1453-82-3; PubChem CID 15074","Identity verification: Unverified; reference-matched; independently confirmed; conflicting evidence","Assay and impurity profile: Mass fraction or molar fraction, with method, uncertainty and wet or dry basis; chromatographic area percent recorded separately","Water and residual solvents: Mass percent or mg/kg, with method and sampling date","Phase and solid-form assignment: Observed phase; crystalline form identifier or unassigned; supporting diffraction or thermal evidence","Thermal transitions: Degrees Celsius or kelvin, with event type, pressure, heating rate and method","Solubility: g/L or mol/L, with solvent composition, temperature, pH, equilibration time and solid form","Acid-base behaviour: pKa with assigned equilibrium, solvent, temperature and ionic strength","Multicomponent-material participation: Linked partner, stoichiometry, role and evidence for salt, cocrystal or coordination-compound assignment","Hazard and regulatory assessment: Source-dated GHS classifications, jurisdictional identifiers, exposure-limit status and unresolved endpoints"]},"recognition":{"applicability":"required","items":["A white crystalline powder supplied in labelled reagent bottles."]},"capabilities":{"applicability":"required","items":["Reconcile isoniacinamide and isonicotinamide records through structure-linked identifiers.","Accept, quarantine or reject a sample against an explicit identity and purity specification.","Calculate a weighed amount or solution concentration using assay and water-content corrections.","Select dissolution or crystallisation conditions from measurements matched to the sample and solvent.","Evaluate proposed salt, cocrystal or coordination experiments while linking resulting materials to separate records.","Determine whether handling or use is supported by current substance-specific evidence."]},"hazards":{"applicability":"required","items":["Can irritate eyes, skin and airways.","Its name is easily confused with the vitamin nicotinamide and the drug isoniazid."]},"interfaces":{"applicability":"required","items":["Globally Harmonized System of Classification and Labelling of Chemicals (GHS), United Nations."]},"context":{"applicability":"required","items":["Isoniacinamide is encountered as a laboratory chemical in organic synthesis and studies of molecular interactions.","Its hydrogen bonding functionality makes it useful in crystal engineering research, including investigations of cocrystal formation."]}},"sources":[{"title":"Wikidata item Q192429: isoniacinamide","url":"https://www.wikidata.org/wiki/Q192429","note":"identity and sense of the item"},{"title":"Wikipedia: Isonicotinamide","url":"https://en.wikipedia.org/wiki/Isonicotinamide","note":"general description of the item"}],"openQuestions":["Does the originating registry record independently confirm the isoniacinamide-to-isonicotinamide mapping, and does an existing world model already own this concept?","Which experimentally established solid forms and form-specific diffraction references should be recognised, including any verified hydrates or solvates?","What primary measurements establish melting behaviour, decomposition or boiling behaviour, solvent-specific solubility and assigned pKa values with conditions and uncertainty?","Which current EC identifier, jurisdiction-specific GHS classifications and exposure limits are applicable, and where are data absent or conflicting?","Which validated analytical methods, impurity limits and stability studies support practical grades and intended uses of isoniacinamide?"],"resources":{"spec":"/models/things/publications/thing-q192429/spec.json"},"provenance":{"origin":"thing registry research (pass 2)","builtFrom":["models/things/publications/thing-q192429/spec.json"],"providers":["Codex"],"researchStatus":"unreviewed","generatedAt":"2026-09-12T10:38:07Z","builder":"tools/build_cards.py@1.0.0"},"completeness":{"sections":{"classifiers":"filled","whatItIs":"filled","purpose":"filled","distinguishingFeatures":"filled","structure":"filled","agentConduct":"filled","ethics":"filled","owners":"filled","relations":"filled","interaction.identity":"filled","interaction.properties":"filled","interaction.recognition":"filled","interaction.capabilities":"filled","interaction.hazards":"filled","interaction.interfaces":"filled","interaction.context":"filled","sources":"filled"},"notes":{"_gate":"Published through the thing publication gate 1.0 on 2026-10-07T10:10:27+00:00: completeness 1.00; sense: Wikidata description; 2 live sources; review by codex: pass"},"score":1.0}}