1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid

C21H19NO4 — CID 66941625

IUPAC1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
SMILESCc1cc(=O)c(OCc2ccccc2)c(C(=O)O)n1Cc1ccccc1
InChIInChI=1S/C21H19NO4/c1-15-12-18(23)20(26-14-17-10-6-3-7-11-17)19(21(24)25)22(15)13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyYFEQBKXJKZSDAW-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.48
Rot. Bonds6

About 1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid

1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid (PubChem CID 66941625) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
PubChem CID66941625
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
SMILESCc1cc(=O)c(OCc2ccccc2)c(C(=O)O)n1Cc1ccccc1
InChIInChI=1S/C21H19NO4/c1-15-12-18(23)20(26-14-17-10-6-3-7-11-17)19(21(24)25)22(15)13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyYFEQBKXJKZSDAW-UHFFFAOYSA-N
XLogP3.48
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 66941827
2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
CID 156776484
2-(hydroxymethyl)-6-methyl-1-octyl-3-phenylmethoxypyridin-4-one
CID 156776486
methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 87212427
1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one
CID 156776485
N-cyclobutyl-1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 66658948
1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067461
4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 58489013
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
N-cyclohexyl-1-cyclopropyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 59708517
2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid
CID 122441506
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 156585394

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid?
The IUPAC name of 1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid (CID 66941625) is 1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid.
What is the SMILES notation for 1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid?
The canonical SMILES for 1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid is Cc1cc(=O)c(OCc2ccccc2)c(C(=O)O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid?
The InChIKey is YFEQBKXJKZSDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-15-12-18(23)20(26-14-17-10-6-3-7-11-17)19(21(24)25)22(15)13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3,(H,24,25).
What are the key properties of 1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid?
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 66941625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).