6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid

C12H14N2O3 — CID 43558271

IUPAC6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C12H14N2O3/c15-11(13-8-4-1-2-5-8)9-6-3-7-10(14-9)12(16)17/h3,6-8H,1-2,4-5H2,(H,13,15)(H,16,17)
InChIKeyAZBJMPKADFEXFQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.45
Rot. Bonds3

About 6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid

6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43558271) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43558271
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C12H14N2O3/c15-11(13-8-4-1-2-5-8)9-6-3-7-10(14-9)12(16)17/h3,6-8H,1-2,4-5H2,(H,13,15)(H,16,17)
InChIKeyAZBJMPKADFEXFQ-UHFFFAOYSA-N
XLogP1.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid (CID 43558271) is 6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NC2CCCC2)n1.
What is the InChIKey of 6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is AZBJMPKADFEXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(13-8-4-1-2-5-8)9-6-3-7-10(14-9)12(16)17/h3,6-8H,1-2,4-5H2,(H,13,15)(H,16,17).
What are the key properties of 6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid?
6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).