2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid

C13H16N2O3 — CID 63614404

IUPAC2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(C(=O)c1ncccc1C(=O)O)C1CCCC1
InChIInChI=1S/C13H16N2O3/c1-15(9-5-2-3-6-9)12(16)11-10(13(17)18)7-4-8-14-11/h4,7-9H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyGPMSIBDDJOYVEC-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.79
Rot. Bonds3

About 2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid

2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63614404) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID63614404
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(C(=O)c1ncccc1C(=O)O)C1CCCC1
InChIInChI=1S/C13H16N2O3/c1-15(9-5-2-3-6-9)12(16)11-10(13(17)18)7-4-8-14-11/h4,7-9H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyGPMSIBDDJOYVEC-UHFFFAOYSA-N
XLogP1.79
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 82733799
3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270971
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614111
N-(1-ethylpiperidin-4-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55002979
3-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 107524822
N-cyclohexyl-N-methyl-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 141207977
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616222
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 70099626

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid (CID 63614404) is 2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid is CN(C(=O)c1ncccc1C(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is GPMSIBDDJOYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(9-5-2-3-6-9)12(16)11-10(13(17)18)7-4-8-14-11/h4,7-9H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid?
2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63614404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).