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

C13H16N2O3 — CID 43558469

IUPAC6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCN(C(=O)c1cccc(C(=O)O)n1)C1CCCC1
InChIInChI=1S/C13H16N2O3/c1-15(9-5-2-3-6-9)12(16)10-7-4-8-11(14-10)13(17)18/h4,7-9H,2-3,5-6H2,1H3,(H,17,18)
InChIKeySNWDIUBWXBVLHG-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.79
Rot. Bonds3

About 6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid

6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43558469) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43558469
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCN(C(=O)c1cccc(C(=O)O)n1)C1CCCC1
InChIInChI=1S/C13H16N2O3/c1-15(9-5-2-3-6-9)12(16)10-7-4-8-11(14-10)13(17)18/h4,7-9H,2-3,5-6H2,1H3,(H,17,18)
InChIKeySNWDIUBWXBVLHG-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

6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 62546139
6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 106903990
6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 61444061
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
N-cyclohexyl-N-methyl-1,8-naphthyridine-2-carboxamide
CID 70289942
N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119181274
6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 55053323
2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 106936576

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid (CID 43558469) is 6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid is CN(C(=O)c1cccc(C(=O)O)n1)C1CCCC1.
What is the InChIKey of 6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is SNWDIUBWXBVLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(9-5-2-3-6-9)12(16)10-7-4-8-11(14-10)13(17)18/h4,7-9H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of 6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
6-[cyclopentyl(methyl)carbamoyl]pyridine-2-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 6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43558469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).