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

C21H20ClN3O — CID 109189944

IUPAC5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)cn2)c(C)c1
InChIInChI=1S/C21H20ClN3O/c1-14-7-9-19(15(2)11-14)25-21(26)20-10-8-17(13-24-20)23-12-16-5-3-4-6-18(16)22/h3-11,13,23H,12H2,1-2H3,(H,25,26)
InChIKeyBUXHWCUYWIWVEL-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.22
Rot. Bonds5

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

5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109189944) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109189944
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)cn2)c(C)c1
InChIInChI=1S/C21H20ClN3O/c1-14-7-9-19(15(2)11-14)25-21(26)20-10-8-17(13-24-20)23-12-16-5-3-4-6-18(16)22/h3-11,13,23H,12H2,1-2H3,(H,25,26)
InChIKeyBUXHWCUYWIWVEL-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-(2,4-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639949
N-(4-chloro-2-methylphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190315
N-(2,4-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191360
5-anilino-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109197061
4-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211733
N-(3-chloro-4-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188320
N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211300
N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281464
N-(2,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109197955
N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118046
5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide
CID 109189981
2-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305785

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide (CID 109189944) is 5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)cn2)c(C)c1.
What is the InChIKey of 5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is BUXHWCUYWIWVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-7-9-19(15(2)11-14)25-21(26)20-10-8-17(13-24-20)23-12-16-5-3-4-6-18(16)22/h3-11,13,23H,12H2,1-2H3,(H,25,26).
What are the key properties of 5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide?
5-[(2-chlorophenyl)methylamino]-N-(2,4-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 5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109189944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).