3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

C13H16N2O3 — CID 63789939

IUPAC3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)Nc2ccccn2)C1
InChIInChI=1S/C13H16N2O3/c16-12(15-11-6-1-2-7-14-11)9-4-3-5-10(8-9)13(17)18/h1-2,6-7,9-10H,3-5,8H2,(H,17,18)(H,14,15,16)
InChIKeyLWAYIHMAVGMFQK-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.91
Rot. Bonds3

About 3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63789939) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63789939
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)Nc2ccccn2)C1
InChIInChI=1S/C13H16N2O3/c16-12(15-11-6-1-2-7-14-11)9-4-3-5-10(8-9)13(17)18/h1-2,6-7,9-10H,3-5,8H2,(H,17,18)(H,14,15,16)
InChIKeyLWAYIHMAVGMFQK-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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Related Compounds

cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
(Z)-but-2-enedioic acid;N-pyridin-2-ylcyclohexanecarboxamide;hydrate
CID 174341375
cis-(1R,3S)-3-[(2-phenylpyrimidin-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 146121724
3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550074
trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 141282806
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788700
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
trans-(1S,3S)-3-[(1-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 129379175
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
3-[(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 87302475
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401115
trans-(1R,3R)-3-[(5-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401107

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63789939) is 3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)Nc2ccccn2)C1.
What is the InChIKey of 3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is LWAYIHMAVGMFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(15-11-6-1-2-7-14-11)9-4-3-5-10(8-9)13(17)18/h1-2,6-7,9-10H,3-5,8H2,(H,17,18)(H,14,15,16).
What are the key properties of 3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
3-(pyridin-2-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-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63789939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).