N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide

C14H18N2O — CID 42905815

IUPACN-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide
SMILESCC(NC(=O)C1CC=CCC1)c1ccccn1
InChIInChI=1S/C14H18N2O/c1-11(13-9-5-6-10-15-13)16-14(17)12-7-3-2-4-8-12/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,16,17)
InChIKeyFCBQPQAKQOKQMW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.62
Rot. Bonds3

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

N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 42905815) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide
PubChem CID42905815
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide
SMILESCC(NC(=O)C1CC=CCC1)c1ccccn1
InChIInChI=1S/C14H18N2O/c1-11(13-9-5-6-10-15-13)16-14(17)12-7-3-2-4-8-12/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,16,17)
InChIKeyFCBQPQAKQOKQMW-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-pyridin-2-ylethyl)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

N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407435
(3R)-1,1-dioxo-N-[(1S)-1-pyridin-2-ylethyl]thiolane-3-carboxamide
CID 39996283
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106
(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 103813258
(1R)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806747
(1S)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806749
N-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]cyclohexanecarboxamide
CID 92829486
2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918518
2-amino-N-[(1R)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407618
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830321

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide (CID 42905815) is N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide is CC(NC(=O)C1CC=CCC1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is FCBQPQAKQOKQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(13-9-5-6-10-15-13)16-14(17)12-7-3-2-4-8-12/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,16,17).
What are the key properties of N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide?
N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42905815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).