cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate

C14H17N2O3- — CID 6949299

IUPACcis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate
SMILESO=C(NCc1ccccn1)[C@H]1CCCC[C@H]1C(=O)[O-]
InChIInChI=1S/C14H18N2O3/c17-13(16-9-10-5-3-4-8-15-10)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7,9H2,(H,16,17)(H,18,19)/p-1/t11-,12+/m0/s1
InChIKeyFDGKNNDZRJOOHJ-NWDGAFQWSA-M
MW261.30 g/mol
LogP0.25
Rot. Bonds4

About cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate

cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate (PubChem CID 6949299) has the molecular formula C14H17N2O3- and a molecular weight of 261.30 g/mol. Its IUPAC name is cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate
PubChem CID6949299
Molecular FormulaC14H17N2O3-
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Namecis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate
SMILESO=C(NCc1ccccn1)[C@H]1CCCC[C@H]1C(=O)[O-]
InChIInChI=1S/C14H18N2O3/c17-13(16-9-10-5-3-4-8-15-10)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7,9H2,(H,16,17)(H,18,19)/p-1/t11-,12+/m0/s1
InChIKeyFDGKNNDZRJOOHJ-NWDGAFQWSA-M
XLogP0.25
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)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

(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7471796
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037
(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 35511492
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
(1S,2R,3S,4R)-3-(pyridin-2-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11871094
(1R,2R,3S,4S)-3-(pyridin-2-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18390325
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
(2R,3S)-3-(pyridin-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635560
(3aS,7S,7aS)-2-cyclopentyl-N-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 124781108
4-(methylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66266558
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate?
The IUPAC name of cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate (CID 6949299) is cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate.
What is the SMILES notation for cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate?
The canonical SMILES for cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate is O=C(NCc1ccccn1)[C@H]1CCCC[C@H]1C(=O)[O-].
What is the InChIKey of cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate?
The InChIKey is FDGKNNDZRJOOHJ-NWDGAFQWSA-M. The full InChI is InChI=1S/C14H18N2O3/c17-13(16-9-10-5-3-4-8-15-10)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7,9H2,(H,16,17)(H,18,19)/p-1/t11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate?
cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate has a molecular weight of 261.30 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 6949299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).