5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid

C19H20N2O3 — CID 119137412

IUPAC5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCCC1Cc1ccccc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C19H20N2O3/c22-18(15-9-10-17(19(23)24)20-12-15)21-16-8-4-7-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14,16H,4,7-8,11H2,(H,21,22)(H,23,24)
InChIKeyWQVSWIHRPLHCGT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.92
Rot. Bonds5

About 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid

5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119137412) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119137412
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCCC1Cc1ccccc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C19H20N2O3/c22-18(15-9-10-17(19(23)24)20-12-15)21-16-8-4-7-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14,16H,4,7-8,11H2,(H,21,22)(H,23,24)
InChIKeyWQVSWIHRPLHCGT-UHFFFAOYSA-N
XLogP2.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2-benzylcyclopentyl)carbamoyl]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-Benzoylpyridine-2-carboxylic acid
CID 726941
3-{[(4-Fluorobenzyl)amino]carbonyl}pyridine-2-carboxylic acid
CID 20866734
5-Cyclohexylpicolinic acid
CID 658651
2-[[[(3S)-2-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 127033166
2-[2-[(1S,2S)-2-[[1-[4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]cyclopentyl]ethyl]pyridine-3-carboxylic acid
CID 132055344
Anthranilic acid, N-nicotinoyl-
CID 201533
2-Pyridinecarboxylic acid, 5-(phenylmethyl)-
CID 3042842
5-phenylpyridine-2-carboxylic Acid
CID 2762870
Quinoline-5, 6-[(3-hydroxy-3-phenyl-2-propyl)amino]-
CID 386228
CID 386231
CID 386231
3-(N-(4-(Dimethylamino)phenyl)carbamoyl)pyridine-2-carboxylic acid
CID 4157878
5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid;hydrochloride
CID 44571946

Frequently Asked Questions

What is the IUPAC name of 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid (CID 119137412) is 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid is O=C(NC1CCCC1Cc1ccccc1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WQVSWIHRPLHCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(15-9-10-17(19(23)24)20-12-15)21-16-8-4-7-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14,16H,4,7-8,11H2,(H,21,22)(H,23,24).
What are the key properties of 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119137412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).