N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide

C22H23N3O — CID 109210329

IUPACN-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccnc(C(=O)Nc3cc(C)ccc3C)c2)c1
InChIInChI=1S/C22H23N3O/c1-15-5-4-6-18(11-15)14-24-19-9-10-23-21(13-19)22(26)25-20-12-16(2)7-8-17(20)3/h4-13H,14H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyRCAIJBFNYJAQTF-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.87
Rot. Bonds5

About N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide

N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109210329) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109210329
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccnc(C(=O)Nc3cc(C)ccc3C)c2)c1
InChIInChI=1S/C22H23N3O/c1-15-5-4-6-18(11-15)14-24-19-9-10-23-21(13-19)22(26)25-20-12-16(2)7-8-17(20)3/h4-13H,14H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyRCAIJBFNYJAQTF-UHFFFAOYSA-N
XLogP4.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211894
N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213674
2-N-(2,5-dimethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085714
4-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211733
4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944792
4-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109207345
N-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188556
4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109210364
methyl 3-[[4-[(3-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109210371
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210580
N-(3-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213141
4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219072

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide (CID 109210329) is N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide is Cc1cccc(CNc2ccnc(C(=O)Nc3cc(C)ccc3C)c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is RCAIJBFNYJAQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-5-4-6-18(11-15)14-24-19-9-10-23-21(13-19)22(26)25-20-12-16(2)7-8-17(20)3/h4-13H,14H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109210329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).