4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide

C21H21N3O — CID 109219072

IUPAC4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Nc3cc(C)ccc3C)ccn2)c1
InChIInChI=1S/C21H21N3O/c1-14-5-4-6-17(11-14)24-21(25)20-13-18(9-10-22-20)23-19-12-15(2)7-8-16(19)3/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyOYHQLLMHQNEFTC-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.00
Rot. Bonds4

About 4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide

4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109219072) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID109219072
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Nc3cc(C)ccc3C)ccn2)c1
InChIInChI=1S/C21H21N3O/c1-14-5-4-6-17(11-14)24-21(25)20-13-18(9-10-22-20)23-19-12-15(2)7-8-16(19)3/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyOYHQLLMHQNEFTC-UHFFFAOYSA-N
XLogP5.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219115
4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219127
N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219162
4-(2-ethoxyanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219092
N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219004
methyl 3-[[4-(2,4-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219781
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219134
4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109202744
N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210329
N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219186
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide (CID 109219072) is 4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2cc(Nc3cc(C)ccc3C)ccn2)c1.
What is the InChIKey of 4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is OYHQLLMHQNEFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-5-4-6-17(11-14)24-21(25)20-13-18(9-10-22-20)23-19-12-15(2)7-8-16(19)3/h4-13H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109219072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).