methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate

C15H15NO3 — CID 30093772

IUPACmethyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(Cc2cccc(C)c2)c1
InChIInChI=1S/C15H15NO3/c1-11-4-3-5-12(8-11)9-16-10-13(15(18)19-2)6-7-14(16)17/h3-8,10H,9H2,1-2H3
InChIKeyFQMCWINTRHJWOI-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.99
Rot. Bonds3

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

methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate (PubChem CID 30093772) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate
PubChem CID30093772
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(Cc2cccc(C)c2)c1
InChIInChI=1S/C15H15NO3/c1-11-4-3-5-12(8-11)9-16-10-13(15(18)19-2)6-7-14(16)17/h3-8,10H,9H2,1-2H3
InChIKeyFQMCWINTRHJWOI-UHFFFAOYSA-N
XLogP1.99
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671359
methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 10638143
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 79777705
N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671373
1-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 110382997
1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8671106
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
methyl 2-[(3-methylphenyl)methyl]-1,1,3-trioxo-1,2-benzothiazole-6-carboxylate
CID 35351253
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 26844078
methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate
CID 24609516
methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 118213206

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate (CID 30093772) is methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(Cc2cccc(C)c2)c1.
What is the InChIKey of methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate?
The InChIKey is FQMCWINTRHJWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-4-3-5-12(8-11)9-16-10-13(15(18)19-2)6-7-14(16)17/h3-8,10H,9H2,1-2H3.
What are the key properties of methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate?
methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 30093772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).