3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid

C13H16N2O3 — CID 63788700

IUPAC3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)Nc2cccnc2)C1
InChIInChI=1S/C13H16N2O3/c16-12(15-11-5-2-6-14-8-11)9-3-1-4-10(7-9)13(17)18/h2,5-6,8-10H,1,3-4,7H2,(H,15,16)(H,17,18)
InChIKeySFLPMYUEMFGYJO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.91
Rot. Bonds3

About 3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid

3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63788700) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63788700
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)Nc2cccnc2)C1
InChIInChI=1S/C13H16N2O3/c16-12(15-11-5-2-6-14-8-11)9-3-1-4-10(7-9)13(17)18/h2,5-6,8-10H,1,3-4,7H2,(H,15,16)(H,17,18)
InChIKeySFLPMYUEMFGYJO-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63788700) is 3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)Nc2cccnc2)C1.
What is the InChIKey of 3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is SFLPMYUEMFGYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(15-11-5-2-6-14-8-11)9-3-1-4-10(7-9)13(17)18/h2,5-6,8-10H,1,3-4,7H2,(H,15,16)(H,17,18).
What are the key properties of 3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid?
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63788700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).