1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid

C16H15NO7 — CID 123329362

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid
SMILESCOc1ccc(Cn2ccc(C(=O)O)c(C(=O)O)c2=O)c(OC)c1
InChIInChI=1S/C16H15NO7/c1-23-10-4-3-9(12(7-10)24-2)8-17-6-5-11(15(19)20)13(14(17)18)16(21)22/h3-7H,8H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVARGSHCXEHNYPM-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.31
Rot. Bonds6

About 1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid

1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid (PubChem CID 123329362) has the molecular formula C16H15NO7 and a molecular weight of 333.30 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid
PubChem CID123329362
Molecular FormulaC16H15NO7
Molecular Weight333.30 g/mol
Exact Mass333.08
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid
SMILESCOc1ccc(Cn2ccc(C(=O)O)c(C(=O)O)c2=O)c(OC)c1
InChIInChI=1S/C16H15NO7/c1-23-10-4-3-9(12(7-10)24-2)8-17-6-5-11(15(19)20)13(14(17)18)16(21)22/h3-7H,8H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVARGSHCXEHNYPM-UHFFFAOYSA-N
XLogP1.31
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic 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

3-(bromomethyl)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 141351917
3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide
CID 91005120
1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 22309095
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
[7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate
CID 122512388
5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid
CID 175285325
5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484405
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one
CID 171795802
ethyl 3-(bromomethyl)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-oxopyridine-4-carboxylate
CID 174713299

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid (CID 123329362) is 1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid is COc1ccc(Cn2ccc(C(=O)O)c(C(=O)O)c2=O)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid?
The InChIKey is VARGSHCXEHNYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO7/c1-23-10-4-3-9(12(7-10)24-2)8-17-6-5-11(15(19)20)13(14(17)18)16(21)22/h3-7H,8H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid?
1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid has a molecular weight of 333.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 123329362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).