1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

C15H16N2O2 — CID 110692988

IUPAC1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(=O)n(C)c2)c1
InChIInChI=1S/C15H16N2O2/c1-11-4-3-5-12(8-11)9-16-15(19)13-6-7-14(18)17(2)10-13/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyAFOKAQQAHPVMGD-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.62
Rot. Bonds3

About 1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 110692988) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID110692988
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(=O)n(C)c2)c1
InChIInChI=1S/C15H16N2O2/c1-11-4-3-5-12(8-11)9-16-15(19)13-6-7-14(18)17(2)10-13/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyAFOKAQQAHPVMGD-UHFFFAOYSA-N
XLogP1.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 53040705
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
2-methyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110704167
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
2-N-hydroxy-6-N-[(3-methylphenyl)methyl]naphthalene-2,6-dicarboxamide
CID 25256330
N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 10645141
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
1-methyl-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 110691577
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 110692988) is 1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is Cc1cccc(CNC(=O)c2ccc(=O)n(C)c2)c1.
What is the InChIKey of 1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is AFOKAQQAHPVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-4-3-5-12(8-11)9-16-15(19)13-6-7-14(18)17(2)10-13/h3-8,10H,9H2,1-2H3,(H,16,19).
What are the key properties of 1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 110692988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).