5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide

C22H22ClN3O — CID 109232774

IUPAC5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(NCCc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C22H22ClN3O/c1-16(18-5-3-2-4-6-18)26-22(27)19-13-21(15-24-14-19)25-12-11-17-7-9-20(23)10-8-17/h2-10,13-16,25H,11-12H2,1H3,(H,26,27)
InChIKeyLNTBSCWQSLFCBT-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.88
Rot. Bonds7

About 5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide

5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 109232774) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID109232774
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(NCCc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C22H22ClN3O/c1-16(18-5-3-2-4-6-18)26-22(27)19-13-21(15-24-14-19)25-12-11-17-7-9-20(23)10-8-17/h2-10,13-16,25H,11-12H2,1H3,(H,26,27)
InChIKeyLNTBSCWQSLFCBT-UHFFFAOYSA-N
XLogP4.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232823
N-[2-(4-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237784
5-N-(1-phenylethyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105347
N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232761
5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109223200
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
5-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237845
5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232350
5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232865
N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide
CID 109237870
5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109237881
N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223411

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide (CID 109232774) is 5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide is CC(NC(=O)c1cncc(NCCc2ccc(Cl)cc2)c1)c1ccccc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is LNTBSCWQSLFCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-16(18-5-3-2-4-6-18)26-22(27)19-13-21(15-24-14-19)25-12-11-17-7-9-20(23)10-8-17/h2-10,13-16,25H,11-12H2,1H3,(H,26,27).
What are the key properties of 5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide?
5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 379.89 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 5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109232774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).