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

C20H23N3O — CID 109205598

IUPAC4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(NCCC2=CCCCC2)ccn1
InChIInChI=1S/C20H23N3O/c24-20(23-17-9-5-2-6-10-17)19-15-18(12-14-22-19)21-13-11-16-7-3-1-4-8-16/h2,5-7,9-10,12,14-15H,1,3-4,8,11,13H2,(H,21,22)(H,23,24)
InChIKeyMKBYGFRYTANBAC-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.64
Rot. Bonds6

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

4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide (PubChem CID 109205598) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
PubChem CID109205598
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(NCCC2=CCCCC2)ccn1
InChIInChI=1S/C20H23N3O/c24-20(23-17-9-5-2-6-10-17)19-15-18(12-14-22-19)21-13-11-16-7-3-1-4-8-16/h2,5-7,9-10,12,14-15H,1,3-4,8,11,13H2,(H,21,22)(H,23,24)
InChIKeyMKBYGFRYTANBAC-UHFFFAOYSA-N
XLogP4.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205612
N-(3-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205611
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109081989
4-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109202082
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109205591
N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205615
4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109205625
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109205585
N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide
CID 109095600

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide (CID 109205598) is 4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide is O=C(Nc1ccccc1)c1cc(NCCC2=CCCCC2)ccn1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide?
The InChIKey is MKBYGFRYTANBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(23-17-9-5-2-6-10-17)19-15-18(12-14-22-19)21-13-11-16-7-3-1-4-8-16/h2,5-7,9-10,12,14-15H,1,3-4,8,11,13H2,(H,21,22)(H,23,24).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide?
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109205598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).