3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid

C13H16N2O3 — CID 3242478

IUPAC3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NC1CCCCC1)c1cccnc1C(=O)O
InChIInChI=1S/C13H16N2O3/c16-12(15-9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(17)18/h4,7-9H,1-3,5-6H2,(H,15,16)(H,17,18)
InChIKeyCRBVFAPPBCGZBF-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.84
Rot. Bonds3

About 3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid

3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 3242478) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID3242478
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NC1CCCCC1)c1cccnc1C(=O)O
InChIInChI=1S/C13H16N2O3/c16-12(15-9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(17)18/h4,7-9H,1-3,5-6H2,(H,15,16)(H,17,18)
InChIKeyCRBVFAPPBCGZBF-UHFFFAOYSA-N
XLogP1.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid (CID 3242478) is 3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid is O=C(NC1CCCCC1)c1cccnc1C(=O)O.
What is the InChIKey of 3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is CRBVFAPPBCGZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(15-9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(17)18/h4,7-9H,1-3,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid?
3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 3242478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).