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

C14H13NO4 — CID 1489805

IUPAC1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)c(=O)cc2C)cc1
InChIInChI=1S/C14H13NO4/c1-9-7-13(16)12(14(17)18)8-15(9)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3,(H,17,18)
InChIKeyPDQFOXVIQWLLSU-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.85
Rot. Bonds3

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

1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid (PubChem CID 1489805) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
PubChem CID1489805
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)c(=O)cc2C)cc1
InChIInChI=1S/C14H13NO4/c1-9-7-13(16)12(14(17)18)8-15(9)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3,(H,17,18)
InChIKeyPDQFOXVIQWLLSU-UHFFFAOYSA-N
XLogP1.85
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid (CID 1489805) is 1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid is COc1ccc(-n2cc(C(=O)O)c(=O)cc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is PDQFOXVIQWLLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-7-13(16)12(14(17)18)8-15(9)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3,(H,17,18).
What are the key properties of 1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 1489805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).