4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide

C20H24ClN3O — CID 109204781

IUPAC4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C20H24ClN3O/c21-16-8-6-15(7-9-16)10-12-22-18-11-13-23-19(14-18)20(25)24-17-4-2-1-3-5-17/h6-9,11,13-14,17H,1-5,10,12H2,(H,22,23)(H,24,25)
InChIKeyDETINNWSBJHRLZ-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.45
Rot. Bonds6

About 4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide

4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide (PubChem CID 109204781) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
PubChem CID109204781
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC Name4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C20H24ClN3O/c21-16-8-6-15(7-9-16)10-12-22-18-11-13-23-19(14-18)20(25)24-17-4-2-1-3-5-17/h6-9,11,13-14,17H,1-5,10,12H2,(H,22,23)(H,24,25)
InChIKeyDETINNWSBJHRLZ-UHFFFAOYSA-N
XLogP4.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081545
4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204096
N-cyclopropyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
CID 109201734
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214453
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939
4-[2-(4-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109215473
N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204760

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide (CID 109204781) is 4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide is O=C(NC1CCCCC1)c1cc(NCCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide?
The InChIKey is DETINNWSBJHRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-16-8-6-15(7-9-16)10-12-22-18-11-13-23-19(14-18)20(25)24-17-4-2-1-3-5-17/h6-9,11,13-14,17H,1-5,10,12H2,(H,22,23)(H,24,25).
What are the key properties of 4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide?
4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide has a molecular weight of 357.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 109204781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).