4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide

C21H20ClN3O — CID 109211894

IUPAC4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)c1
InChIInChI=1S/C21H20ClN3O/c1-14-3-4-15(2)19(11-14)25-21(26)20-12-18(9-10-23-20)24-13-16-5-7-17(22)8-6-16/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyPSGFAYWMNNVNNQ-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.22
Rot. Bonds5

About 4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide

4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109211894) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109211894
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)c1
InChIInChI=1S/C21H20ClN3O/c1-14-3-4-15(2)19(11-14)25-21(26)20-12-18(9-10-23-20)24-13-16-5-7-17(22)8-6-16/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyPSGFAYWMNNVNNQ-UHFFFAOYSA-N
XLogP5.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210329
4-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211733
4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213674
4-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109207345
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210580
4-[2-(4-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109215473
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886
N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212313
N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210613
N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211921
2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085897

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide (CID 109211894) is 4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)c1.
What is the InChIKey of 4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is PSGFAYWMNNVNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-3-4-15(2)19(11-14)25-21(26)20-12-18(9-10-23-20)24-13-16-5-7-17(22)8-6-16/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109211894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).