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

C21H20ClN3O — CID 109234109

IUPAC5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H20ClN3O/c1-2-16-5-3-4-6-20(16)25-21(26)17-11-19(14-23-13-17)24-12-15-7-9-18(22)10-8-15/h3-11,13-14,24H,2,12H2,1H3,(H,25,26)
InChIKeyXQRVDZGTJMJUIE-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.16
Rot. Bonds6

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

5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide (PubChem CID 109234109) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
PubChem CID109234109
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H20ClN3O/c1-2-16-5-3-4-6-20(16)25-21(26)17-11-19(14-23-13-17)24-12-15-7-9-18(22)10-8-15/h3-11,13-14,24H,2,12H2,1H3,(H,25,26)
InChIKeyXQRVDZGTJMJUIE-UHFFFAOYSA-N
XLogP5.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109234113
N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235401
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225020
N-(2-ethylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231536
N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232734
3-N-(3-chlorophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108469
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
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-ethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide (CID 109234109) is 5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide is CCc1ccccc1NC(=O)c1cncc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide?
The InChIKey is XQRVDZGTJMJUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-2-16-5-3-4-6-20(16)25-21(26)17-11-19(14-23-13-17)24-12-15-7-9-18(22)10-8-15/h3-11,13-14,24H,2,12H2,1H3,(H,25,26).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide?
5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 5.16, 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-ethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109234109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).