3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid

C13H16N2O3 — CID 107175917

IUPAC3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
SMILESCC1CCCC1C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C13H16N2O3/c1-8-4-2-5-9(8)12(16)15-10-6-3-7-14-11(10)13(17)18/h3,6-9H,2,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyNZHHLXYPHVJHHE-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.15
Rot. Bonds3

About 3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid

3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 107175917) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
PubChem CID107175917
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
SMILESCC1CCCC1C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C13H16N2O3/c1-8-4-2-5-9(8)12(16)15-10-6-3-7-14-11(10)13(17)18/h3,6-9H,2,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyNZHHLXYPHVJHHE-UHFFFAOYSA-N
XLogP2.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-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

Related Compounds

3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375
3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
CID 104740447
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743378
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197
N-(2-bromo-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 103819502
2-(aminomethyl)-N-(2-methyl-3-pyridinyl)cyclopentane-1-carboxamide
CID 79043281
N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107184100
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743458
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-(prop-2-ynoylamino)pyridine-2-carboxylic acid
CID 104739879
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid (CID 107175917) is 3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid is CC1CCCC1C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is NZHHLXYPHVJHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-4-2-5-9(8)12(16)15-10-6-3-7-14-11(10)13(17)18/h3,6-9H,2,4-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid?
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 107175917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).