2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

C13H15ClN2O3 — CID 82760527

IUPAC2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H15ClN2O3/c1-13(12(18)19)6-2-3-9(13)16-11(17)8-4-5-10(14)15-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyGNFOJNAMEXDSMX-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.11
Rot. Bonds3

About 2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82760527) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82760527
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H15ClN2O3/c1-13(12(18)19)6-2-3-9(13)16-11(17)8-4-5-10(14)15-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyGNFOJNAMEXDSMX-UHFFFAOYSA-N
XLogP2.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759798
1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 104669963
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107702822
2-[(4-bromo-3-chlorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83210681
2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763308
2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760834
2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211631
2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760189
2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760270
1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 82760430
2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759945

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82760527) is 2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is GNFOJNAMEXDSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-13(12(18)19)6-2-3-9(13)16-11(17)8-4-5-10(14)15-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 282.73 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).