EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6031 - isonicotinamide

ChEBI IDCHEBI:6031
ChEBI Nameisonicotinamide
Stars
DefinitionA pyridinecarboxamide that is the monocarboxylic acid amide derivative of isonicotinic acid.
Last Modified23 June 2025
DownloadsMolfile
FormulaC6H6N2O
Net Charge0
Average Mass122.127
Monoisotopic Mass122.04801
SMILESNC(=O)c1ccncc1
InChIInChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
InChIKeyVFQXVTODMYMSMJ-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
isonicotinamide (CHEBI:6031) has functional parent isonicotinic acid (CHEBI:6032)
isonicotinamide (CHEBI:6031) is a pyridinecarboxamide (CHEBI:25529)
Incoming Relation(s)
N-[(3R,4R)-4-{[(4-{[5-(3,3-dimethylpiperidin-1-yl)-2-fluoro-6-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]isonicotinamide (CHEBI:45335) has functional parent isonicotinamide (CHEBI:6031)
N-[(3R,4R)-4-{[(4-{[5-(3,3-dimethylpiperidin-1-yl)-2-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]isonicotinamide (CHEBI:45445) has functional parent isonicotinamide (CHEBI:6031)
N-[(3R,4R)-4-{[(4-{[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]isonicotinamide (CHEBI:45252) has functional parent isonicotinamide (CHEBI:6031)
N-{(3R,4R)-4-[({4-[(2-hydroxy-5-piperidin-1-ylphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}isonicotinamide (CHEBI:45336) has functional parent isonicotinamide (CHEBI:6031)
IUPAC Name 
pyridine-4-carboxamide
Synonyms  Source
4-carbamoylpyridineNIST Chemistry WebBook
4-pyridinecarboxamideNIST Chemistry WebBook
isnIUPAC
isonicotinamideNIST Chemistry WebBook
IsonicotinamideKEGG COMPOUND
IsonicotineamideKEGG COMPOUND
UniProt Name  Source
pyridine-4-carboxamideUniProt
Manual XrefsDatabases
C02421KEGG COMPOUND
IsonicotinamideWikipedia
LSM-37066LINCS
Registry NumbersSources
Reaxys:2173Reaxys
Gmelin:3038Gmelin
CAS:1453-82-3ChemIDplus
CAS:1453-82-3NIST Chemistry WebBook
CAS:1453-82-3KEGG COMPOUND
Citations