1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid

C15H15NO3 — CID 59067461

IUPAC1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)cc(C)n(Cc2ccccc2)c1=O
InChIInChI=1S/C15H15NO3/c1-10-8-13(15(18)19)11(2)14(17)16(10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyGJIKEGNXFHLNGJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.21
Rot. Bonds3

About 1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid

1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid (PubChem CID 59067461) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
PubChem CID59067461
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)cc(C)n(Cc2ccccc2)c1=O
InChIInChI=1S/C15H15NO3/c1-10-8-13(15(18)19)11(2)14(17)16(10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyGJIKEGNXFHLNGJ-UHFFFAOYSA-N
XLogP2.21
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate
CID 7347203
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
1-benzyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 23855308
1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid
CID 15316729
1-[(4-chlorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 29037309
ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090
1-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 118871370
1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 5311555
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid (CID 59067461) is 1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid is Cc1c(C(=O)O)cc(C)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid?
The InChIKey is GJIKEGNXFHLNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-8-13(15(18)19)11(2)14(17)16(10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid?
1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 59067461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).