N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide

C21H21N3O — CID 109219004

IUPACN-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3ccccc3C)ccn2)cc1C
InChIInChI=1S/C21H21N3O/c1-14-8-9-17(12-16(14)3)24-21(25)20-13-18(10-11-22-20)23-19-7-5-4-6-15(19)2/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyNBLKKFARJDXOQX-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.00
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide

N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide (PubChem CID 109219004) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
PubChem CID109219004
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3ccccc3C)ccn2)cc1C
InChIInChI=1S/C21H21N3O/c1-14-8-9-17(12-16(14)3)24-21(25)20-13-18(10-11-22-20)23-19-7-5-4-6-15(19)2/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyNBLKKFARJDXOQX-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 N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-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

N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219035
4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109219027
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109219031
4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218765
N-cyclopentyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109204070
4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219072
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219056
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209829
4-N-(2-chlorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091921
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylanilino)pyridine-2-carboxamide
CID 109219918

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide (CID 109219004) is N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(Nc3ccccc3C)ccn2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide?
The InChIKey is NBLKKFARJDXOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-8-9-17(12-16(14)3)24-21(25)20-13-18(10-11-22-20)23-19-7-5-4-6-15(19)2/h4-13H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide?
N-(3,4-dimethylphenyl)-4-(2-methylanilino)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 N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109219004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).