1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid

C14H13NO4 — CID 28552056

IUPAC1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)O)ccc2=O)cc1
InChIInChI=1S/C14H13NO4/c1-19-12-5-2-10(3-6-12)8-15-9-11(14(17)18)4-7-13(15)16/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyGXQPYBVPSLJQKQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.60
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid

1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 28552056) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID28552056
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)O)ccc2=O)cc1
InChIInChI=1S/C14H13NO4/c1-19-12-5-2-10(3-6-12)8-15-9-11(14(17)18)4-7-13(15)16/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyGXQPYBVPSLJQKQ-UHFFFAOYSA-N
XLogP1.60
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid (CID 28552056) is 1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid is COc1ccc(Cn2cc(C(=O)O)ccc2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is GXQPYBVPSLJQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-19-12-5-2-10(3-6-12)8-15-9-11(14(17)18)4-7-13(15)16/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid?
1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 28552056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).