2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide

C22H27N3O — CID 109166653

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(NCCC2=CCCCC2)c1)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-17(19-10-6-3-7-11-19)25-22(26)20-13-15-24-21(16-20)23-14-12-18-8-4-2-5-9-18/h3,6-8,10-11,13,15-17H,2,4-5,9,12,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyWCOVUSONTUOLDB-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.88
Rot. Bonds7

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide (PubChem CID 109166653) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide
PubChem CID109166653
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(NCCC2=CCCCC2)c1)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-17(19-10-6-3-7-11-19)25-22(26)20-13-15-24-21(16-20)23-14-12-18-8-4-2-5-9-18/h3,6-8,10-11,13,15-17H,2,4-5,9,12,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyWCOVUSONTUOLDB-UHFFFAOYSA-N
XLogP4.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-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

2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109166704
2-(2-methoxyethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109166864
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 109165089
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166642
2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109168033
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109166660
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109166672
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109166702
2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109167544
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152784
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide (CID 109166653) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide is CC(NC(=O)c1ccnc(NCCC2=CCCCC2)c1)c1ccccc1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide?
The InChIKey is WCOVUSONTUOLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17(19-10-6-3-7-11-19)25-22(26)20-13-15-24-21(16-20)23-14-12-18-8-4-2-5-9-18/h3,6-8,10-11,13,15-17H,2,4-5,9,12,14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109166653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).