1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid

C16H15NO3 — CID 82520836

IUPAC1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(=O)n2C2CC2)cc1
InChIInChI=1S/C16H15NO3/c1-10-2-4-11(5-3-10)14-9-8-13(16(19)20)15(18)17(14)12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,19,20)
InChIKeyIEAZGPPCFLXRCV-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.86
Rot. Bonds3

About 1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid

1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 82520836) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
PubChem CID82520836
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(=O)n2C2CC2)cc1
InChIInChI=1S/C16H15NO3/c1-10-2-4-11(5-3-10)14-9-8-13(16(19)20)15(18)17(14)12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,19,20)
InChIKeyIEAZGPPCFLXRCV-UHFFFAOYSA-N
XLogP2.86
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid (CID 82520836) is 1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)c(=O)n2C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is IEAZGPPCFLXRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-2-4-11(5-3-10)14-9-8-13(16(19)20)15(18)17(14)12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,19,20).
What are the key properties of 1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid?
1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82520836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).