5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide

C22H27N3O — CID 109183775

IUPAC5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(NCCC3=CCCCC3)cn2)cc1
InChIInChI=1S/C22H27N3O/c1-2-17-8-10-19(11-9-17)25-22(26)21-13-12-20(16-24-21)23-15-14-18-6-4-3-5-7-18/h6,8-13,16,23H,2-5,7,14-15H2,1H3,(H,25,26)
InChIKeyCPJLMUFADKDFGY-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.20
Rot. Bonds7

About 5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide

5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide (PubChem CID 109183775) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
PubChem CID109183775
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(NCCC3=CCCCC3)cn2)cc1
InChIInChI=1S/C22H27N3O/c1-2-17-8-10-19(11-9-17)25-22(26)21-13-12-20(16-24-21)23-15-14-18-6-4-3-5-7-18/h6,8-13,16,23H,2-5,7,14-15H2,1H3,(H,25,26)
InChIKeyCPJLMUFADKDFGY-UHFFFAOYSA-N
XLogP5.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-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-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109181397
5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179842
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183818
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109183740
N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205612
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109183632
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide
CID 109251271
N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
CID 108942962
6-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109113587
ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate
CID 113024981

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide (CID 109183775) is 5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide is CCc1ccc(NC(=O)c2ccc(NCCC3=CCCCC3)cn2)cc1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide?
The InChIKey is CPJLMUFADKDFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-2-17-8-10-19(11-9-17)25-22(26)21-13-12-20(16-24-21)23-15-14-18-6-4-3-5-7-18/h6,8-13,16,23H,2-5,7,14-15H2,1H3,(H,25,26).
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide?
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109183775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).