(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide

C13H16N2O — CID 35511492

IUPAC(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccccn1)[C@@H]1CC=CCC1
InChIInChI=1S/C13H16N2O/c16-13(11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,15,16)/t11-/m1/s1
InChIKeyRIZWMSXVGXVLLM-LLVKDONJSA-N
MW216.28 g/mol
LogP2.05
Rot. Bonds3

About (1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide

(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 35511492) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
PubChem CID35511492
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccccn1)[C@@H]1CC=CCC1
InChIInChI=1S/C13H16N2O/c16-13(11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,15,16)/t11-/m1/s1
InChIKeyRIZWMSXVGXVLLM-LLVKDONJSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide 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

4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 45253215
1-[1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 29188826
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
(1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 100742816
cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate
CID 6949299
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 32601690
4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148278

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide (CID 35511492) is (1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide is O=C(NCc1ccccn1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is RIZWMSXVGXVLLM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide?
(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 35511492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).