2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid

C15H21NO3 — CID 63831232

IUPAC2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)n(CC2(C)CCCC2)c(C)c1C(=O)O
InChIInChI=1S/C15H21NO3/c1-10-8-12(17)16(11(2)13(10)14(18)19)9-15(3)6-4-5-7-15/h8H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyZPUHYSVTWIKRJW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.74
Rot. Bonds3

About 2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid

2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 63831232) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID63831232
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)n(CC2(C)CCCC2)c(C)c1C(=O)O
InChIInChI=1S/C15H21NO3/c1-10-8-12(17)16(11(2)13(10)14(18)19)9-15(3)6-4-5-7-15/h8H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyZPUHYSVTWIKRJW-UHFFFAOYSA-N
XLogP2.74
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-1-[(1-methylcyclopentyl)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 2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid (CID 63831232) is 2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid is Cc1cc(=O)n(CC2(C)CCCC2)c(C)c1C(=O)O.
What is the InChIKey of 2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is ZPUHYSVTWIKRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-8-12(17)16(11(2)13(10)14(18)19)9-15(3)6-4-5-7-15/h8H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid?
2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 63831232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).