trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate

C13H15N2O3- — CID 6950908

IUPACtrans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
SMILESO=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccnc1
InChIInChI=1S/C13H16N2O3/c16-12(15-9-4-3-7-14-8-9)10-5-1-2-6-11(10)13(17)18/h3-4,7-8,10-11H,1-2,5-6H2,(H,15,16)(H,17,18)/p-1/t10-,11-/m0/s1
InChIKeyAFWWQUGLCPAHPY-QWRGUYRKSA-M
MW247.27 g/mol
LogP0.58
Rot. Bonds3

About trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate

trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate (PubChem CID 6950908) has the molecular formula C13H15N2O3- and a molecular weight of 247.27 g/mol. Its IUPAC name is trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
PubChem CID6950908
Molecular FormulaC13H15N2O3-
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Nametrans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
SMILESO=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccnc1
InChIInChI=1S/C13H16N2O3/c16-12(15-9-4-3-7-14-8-9)10-5-1-2-6-11(10)13(17)18/h3-4,7-8,10-11H,1-2,5-6H2,(H,15,16)(H,17,18)/p-1/t10-,11-/m0/s1
InChIKeyAFWWQUGLCPAHPY-QWRGUYRKSA-M
XLogP0.58
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-pyridin-3-ylcyclopentane-1-carboxamide
CID 64817349
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6592948
N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 10263302
(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 790200
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
trans-(1R,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7312282
4-[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6944194
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6937463

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate?
The IUPAC name of trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate (CID 6950908) is trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate.
What is the SMILES notation for trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate?
The canonical SMILES for trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate is O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccnc1.
What is the InChIKey of trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate?
The InChIKey is AFWWQUGLCPAHPY-QWRGUYRKSA-M. The full InChI is InChI=1S/C13H16N2O3/c16-12(15-9-4-3-7-14-8-9)10-5-1-2-6-11(10)13(17)18/h3-4,7-8,10-11H,1-2,5-6H2,(H,15,16)(H,17,18)/p-1/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate?
trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate has a molecular weight of 247.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 6950908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).