5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide

C22H22ClN3O — CID 109234113

IUPAC5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cncc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H22ClN3O/c1-15(2)20-5-3-4-6-21(20)26-22(27)17-11-19(14-24-13-17)25-12-16-7-9-18(23)10-8-16/h3-11,13-15,25H,12H2,1-2H3,(H,26,27)
InChIKeyLJYRFJNEGLTCHE-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.72
Rot. Bonds6

About 5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide

5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 109234113) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID109234113
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cncc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H22ClN3O/c1-15(2)20-5-3-4-6-21(20)26-22(27)17-11-19(14-24-13-17)25-12-16-7-9-18(23)10-8-16/h3-11,13-15,25H,12H2,1-2H3,(H,26,27)
InChIKeyLJYRFJNEGLTCHE-UHFFFAOYSA-N
XLogP5.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109234109
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109232147
5-(furan-2-ylmethylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109231540
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109225408
N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232734
5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243776
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109234136
5-(benzylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109231930
N-(3-chloro-4-methylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109234126

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (CID 109234113) is 5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)c1ccccc1NC(=O)c1cncc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is LJYRFJNEGLTCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-15(2)20-5-3-4-6-21(20)26-22(27)17-11-19(14-24-13-17)25-12-16-7-9-18(23)10-8-16/h3-11,13-15,25H,12H2,1-2H3,(H,26,27).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109234113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).