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

C21H21N3O — CID 109219210

IUPAC4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3cc(C)cc(C)c3)ccn2)cc1
InChIInChI=1S/C21H21N3O/c1-14-4-6-17(7-5-14)24-21(25)20-13-18(8-9-22-20)23-19-11-15(2)10-16(3)12-19/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyKMXAIIIMOJQEJT-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.00
Rot. Bonds4

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

4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 109219210) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID109219210
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3cc(C)cc(C)c3)ccn2)cc1
InChIInChI=1S/C21H21N3O/c1-14-4-6-17(7-5-14)24-21(25)20-13-18(8-9-22-20)23-19-11-15(2)10-16(3)12-19/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyKMXAIIIMOJQEJT-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

N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219981
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219281
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219248
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219984
4-(3-methoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219226
4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide
CID 132587528
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
4-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219950

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide (CID 109219210) is 4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(Nc3cc(C)cc(C)c3)ccn2)cc1.
What is the InChIKey of 4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is KMXAIIIMOJQEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-4-6-17(7-5-14)24-21(25)20-13-18(8-9-22-20)23-19-11-15(2)10-16(3)12-19/h4-13H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide?
4-(3,5-dimethylanilino)-N-(4-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-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109219210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).