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

C21H21N3O — CID 109241831

IUPAC5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(Nc3cc(C)ccc3C)c2)c1
InChIInChI=1S/C21H21N3O/c1-14-5-4-6-18(9-14)24-21(25)17-11-19(13-22-12-17)23-20-10-15(2)7-8-16(20)3/h4-13,23H,1-3H3,(H,24,25)
InChIKeyHYNQBFDDFAOEOX-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.00
Rot. Bonds4

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

5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 109241831) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID109241831
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(Nc3cc(C)ccc3C)c2)c1
InChIInChI=1S/C21H21N3O/c1-14-5-4-6-18(9-14)24-21(25)17-11-19(13-22-12-17)23-20-10-15(2)7-8-16(20)3/h4-13,23H,1-3H3,(H,24,25)
InChIKeyHYNQBFDDFAOEOX-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

Analyze 5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241836
N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242872
N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242887
5-(2,5-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242839
5-(3,5-dichloroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241902
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109242737
N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109242782

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide (CID 109241831) is 5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cncc(Nc3cc(C)ccc3C)c2)c1.
What is the InChIKey of 5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is HYNQBFDDFAOEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-5-4-6-18(9-14)24-21(25)17-11-19(13-22-12-17)23-20-10-15(2)7-8-16(20)3/h4-13,23H,1-3H3,(H,24,25).
What are the key properties of 5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-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 5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109241831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).