1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid

C14H13NO4 — CID 80502819

IUPAC1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESCOc1ccc(Cn2ccc(C(=O)O)cc2=O)cc1
InChIInChI=1S/C14H13NO4/c1-19-12-4-2-10(3-5-12)9-15-7-6-11(14(17)18)8-13(15)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyXZCBNVDERWCZKD-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.60
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid

1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 80502819) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
PubChem CID80502819
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESCOc1ccc(Cn2ccc(C(=O)O)cc2=O)cc1
InChIInChI=1S/C14H13NO4/c1-19-12-4-2-10(3-5-12)9-15-7-6-11(14(17)18)8-13(15)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyXZCBNVDERWCZKD-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

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Related Compounds

1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901962
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 54736914
1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82918341
1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902409
1-[(3-bromo-4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902406
3-chloro-4-[1-[(4-methoxyphenyl)methyl]indol-5-yl]oxybenzoic acid
CID 10787582
1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid
CID 82903725
4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-1-oxopyrrolo[1,2-c]pyrimidin-2-yl]methyl]benzoic acid
CID 22609977
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 103173349
1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride
CID 165343915
3-[(4-methoxyphenyl)methyl]-1-methyl-4-oxo-2H-quinazoline-6-carboxylic acid
CID 22482139

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid (CID 80502819) is 1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid is COc1ccc(Cn2ccc(C(=O)O)cc2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is XZCBNVDERWCZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-19-12-4-2-10(3-5-12)9-15-7-6-11(14(17)18)8-13(15)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid?
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-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]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 80502819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).