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

C22H20ClN3O2 — CID 109237870

IUPACN-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(NCCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H20ClN3O2/c1-15(27)17-4-8-20(9-5-17)26-22(28)18-12-21(14-24-13-18)25-11-10-16-2-6-19(23)7-3-16/h2-9,12-14,25H,10-11H2,1H3,(H,26,28)
InChIKeySKOCXYSKTYEBDV-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.84
Rot. Bonds7

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

N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 109237870) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide
PubChem CID109237870
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(NCCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H20ClN3O2/c1-15(27)17-4-8-20(9-5-17)26-22(28)18-12-21(14-24-13-18)25-11-10-16-2-6-19(23)7-3-16/h2-9,12-14,25H,10-11H2,1H3,(H,26,28)
InChIKeySKOCXYSKTYEBDV-UHFFFAOYSA-N
XLogP4.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237845
N-(4-acetylphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236959
5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109237881
N-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236816
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
methyl 4-[[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109234145
N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235727
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235964
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109241188
N-(3-chloro-4-methylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109234126

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide (CID 109237870) is N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cncc(NCCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is SKOCXYSKTYEBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-15(27)17-4-8-20(9-5-17)26-22(28)18-12-21(14-24-13-18)25-11-10-16-2-6-19(23)7-3-16/h2-9,12-14,25H,10-11H2,1H3,(H,26,28).
What are the key properties of N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide?
N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109237870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).