6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid

C16H17NO3 — CID 1489736

IUPAC6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)cn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H17NO3/c1-10(2)12-4-6-13(7-5-12)17-9-14(16(19)20)15(18)8-11(17)3/h4-10H,1-3H3,(H,19,20)
InChIKeyIRCOZPOADMDNRD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.97
Rot. Bonds3

About 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid

6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid (PubChem CID 1489736) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid
PubChem CID1489736
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)cn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H17NO3/c1-10(2)12-4-6-13(7-5-12)17-9-14(16(19)20)15(18)8-11(17)3/h4-10H,1-3H3,(H,19,20)
InChIKeyIRCOZPOADMDNRD-UHFFFAOYSA-N
XLogP2.97
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-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 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid (CID 1489736) is 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)cn1-c1ccc(C(C)C)cc1.
What is the InChIKey of 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid?
The InChIKey is IRCOZPOADMDNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10(2)12-4-6-13(7-5-12)17-9-14(16(19)20)15(18)8-11(17)3/h4-10H,1-3H3,(H,19,20).
What are the key properties of 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid?
6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 1489736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).