(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide

C15H22N2O — CID 178156221

IUPAC(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCC[C@H](C(=O)NCCc2ccccn2)C1
InChIInChI=1S/C15H22N2O/c1-12-5-4-6-13(11-12)15(18)17-10-8-14-7-2-3-9-16-14/h2-3,7,9,12-13H,4-6,8,10-11H2,1H3,(H,17,18)/t12?,13-/m0/s1
InChIKeyDMWIOGPWCCJODY-ABLWVSNPSA-N
MW246.35 g/mol
LogP2.57
Rot. Bonds4

About (1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide

(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide (PubChem CID 178156221) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
PubChem CID178156221
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCC[C@H](C(=O)NCCc2ccccn2)C1
InChIInChI=1S/C15H22N2O/c1-12-5-4-6-13(11-12)15(18)17-10-8-14-7-2-3-9-16-14/h2-3,7,9,12-13H,4-6,8,10-11H2,1H3,(H,17,18)/t12?,13-/m0/s1
InChIKeyDMWIOGPWCCJODY-ABLWVSNPSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044448
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
CID 63043512
cis-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl] (1S,3R)-3-methylcyclohexane-1-carboxylate
CID 124863346
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 71980106
3,5-dimethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 47128142

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of (1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide (CID 178156221) is (1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for (1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide is CC1CCC[C@H](C(=O)NCCc2ccccn2)C1.
What is the InChIKey of (1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is DMWIOGPWCCJODY-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-4-6-13(11-12)15(18)17-10-8-14-7-2-3-9-16-14/h2-3,7,9,12-13H,4-6,8,10-11H2,1H3,(H,17,18)/t12?,13-/m0/s1.
What are the key properties of (1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide?
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 178156221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).