Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	38490
Common Name:	N1-Methyl-4-pyridone-3-carboxamide
Systematic Name:	1-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide
RefMet Name:	N1-Methyl-4-pyridone-3-carboxamide
Synonyms:	[PubChem Synonyms]
Exact Mass:	152.0586 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C7H8N2O2
InChIKey:	KTLRWTOPTKGYQY-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Pyridines and derivatives [C0000089]
ClassyFire subclass:	Pyridinecarboxylic acids and derivatives [C0001322]
ClassyFire direct parent:	Nicotinamides [C0002253]
SMILES:	Cn1ccc(=O)c(c1)C(=O)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	440810
CHEBI ID:	27838
HMDB ID:	HMDB0004194
KEGG ID:	C05843
Chemspider ID:	389671
Plant Metabolite Hub(Pmhub):	MS000016022
PhytoHub ID:	PHUB002557

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y