6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid

C13H16N2O3 — CID 43558256

IUPAC6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C13H16N2O3/c16-12(14-9-5-2-1-3-6-9)10-7-4-8-11(15-10)13(17)18/h4,7-9H,1-3,5-6H2,(H,14,16)(H,17,18)
InChIKeyIDILTMYFUGBQGE-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.84
Rot. Bonds3

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

6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43558256) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43558256
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C13H16N2O3/c16-12(14-9-5-2-1-3-6-9)10-7-4-8-11(15-10)13(17)18/h4,7-9H,1-3,5-6H2,(H,14,16)(H,17,18)
InChIKeyIDILTMYFUGBQGE-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 6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid (CID 43558256) is 6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NC2CCCCC2)n1.
What is the InChIKey of 6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is IDILTMYFUGBQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(14-9-5-2-1-3-6-9)10-7-4-8-11(15-10)13(17)18/h4,7-9H,1-3,5-6H2,(H,14,16)(H,17,18).
What are the key properties of 6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid?
6-(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 6-(cyclohexylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).