Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	204311
Common Name:	6-Methylnicotinamide
Systematic Name:	6-methylpyridine-3-carboxamide
Synonyms:	[PubChem Synonyms]
Exact Mass:	136.0637 (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:	C7H8N2O
InChIKey:	IJXDURUAYOKSIS-UHFFFAOYSA-N
ClassyFire superclass:	Alkaloids
ClassyFire subclass:	Pyridine alkaloids
ClassyFire direct parent:	Nicotinic acid alkaloids
SMILES:	Cc1ccc(cn1)C(=O)N
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	96351
CHEBI ID:	88954
HMDB ID:	HMDB0013704
Chemspider ID:	86975

Calculated physicochemical properties:

No data available

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