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

C21H21N3O — CID 109241651

IUPAC5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cncc(Nc2cccc(C)c2C)c1
InChIInChI=1S/C21H21N3O/c1-14-8-6-10-20(16(14)3)23-18-11-17(12-22-13-18)21(25)24-19-9-5-4-7-15(19)2/h4-13,23H,1-3H3,(H,24,25)
InChIKeyRAEOLOSUZRNUFS-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.00
Rot. Bonds4

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

5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 109241651) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID109241651
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cncc(Nc2cccc(C)c2C)c1
InChIInChI=1S/C21H21N3O/c1-14-8-6-10-20(16(14)3)23-18-11-17(12-22-13-18)21(25)24-19-9-5-4-7-15(19)2/h4-13,23H,1-3H3,(H,24,25)
InChIKeyRAEOLOSUZRNUFS-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

5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109243291
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242107
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109241729
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232809
N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109243240
5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109239400
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241732
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide (CID 109241651) is 5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide is Cc1ccccc1NC(=O)c1cncc(Nc2cccc(C)c2C)c1.
What is the InChIKey of 5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is RAEOLOSUZRNUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-8-6-10-20(16(14)3)23-18-11-17(12-22-13-18)21(25)24-19-9-5-4-7-15(19)2/h4-13,23H,1-3H3,(H,24,25).
What are the key properties of 5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide?
5-(2,3-dimethylanilino)-N-(2-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-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109241651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).