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

C20H22ClN3O — CID 109205612

IUPACN-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(NCCC2=CCCCC2)ccn1
InChIInChI=1S/C20H22ClN3O/c21-16-6-8-17(9-7-16)24-20(25)19-14-18(11-13-23-19)22-12-10-15-4-2-1-3-5-15/h4,6-9,11,13-14H,1-3,5,10,12H2,(H,22,23)(H,24,25)
InChIKeyIIHFPXUUPSJWFW-UHFFFAOYSA-N
MW355.87 g/mol
LogP5.29
Rot. Bonds6

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

N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide (PubChem CID 109205612) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
PubChem CID109205612
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC NameN-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(NCCC2=CCCCC2)ccn1
InChIInChI=1S/C20H22ClN3O/c21-16-6-8-17(9-7-16)24-20(25)19-14-18(11-13-23-19)22-12-10-15-4-2-1-3-5-15/h4,6-9,11,13-14H,1-3,5,10,12H2,(H,22,23)(H,24,25)
InChIKeyIIHFPXUUPSJWFW-UHFFFAOYSA-N
XLogP5.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 55.29
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

4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
N-(3-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205611
N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205615
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
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109205591
4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109205625
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109205585
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109081989

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide (CID 109205612) is N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(NCCC2=CCCCC2)ccn1.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The InChIKey is IIHFPXUUPSJWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-16-6-8-17(9-7-16)24-20(25)19-14-18(11-13-23-19)22-12-10-15-4-2-1-3-5-15/h4,6-9,11,13-14H,1-3,5,10,12H2,(H,22,23)(H,24,25).
What are the key properties of N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109205612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).