N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide

C21H20ClN3O — CID 109210580

IUPACN-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1ccc(CNc2ccnc(C(=O)Nc3cccc(Cl)c3C)c2)cc1
InChIInChI=1S/C21H20ClN3O/c1-14-6-8-16(9-7-14)13-24-17-10-11-23-20(12-17)21(26)25-19-5-3-4-18(22)15(19)2/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyVTJMNZWHGJPUJO-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.22
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide

N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109210580) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109210580
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1ccc(CNc2ccnc(C(=O)Nc3cccc(Cl)c3C)c2)cc1
InChIInChI=1S/C21H20ClN3O/c1-14-6-8-16(9-7-14)13-24-17-10-11-23-20(12-17)21(26)25-19-5-3-4-18(22)15(19)2/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyVTJMNZWHGJPUJO-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-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210613
N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213435
N-(2,3-dimethylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212284
4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211894
N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210329
4-[(3,4-dimethoxyphenyl)methylamino]-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109215565
4-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211733
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188780
N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306395
N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211921
N-cyclopropyl-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109201706
N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212313

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide (CID 109210580) is N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide is Cc1ccc(CNc2ccnc(C(=O)Nc3cccc(Cl)c3C)c2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is VTJMNZWHGJPUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-6-8-16(9-7-14)13-24-17-10-11-23-20(12-17)21(26)25-19-5-3-4-18(22)15(19)2/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide?
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]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 N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109210580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).