2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide

C₂₂H₂₃N₃O₂ — CID 109176772

About 2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide

2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide (PubChem CID 109176772) has the molecular formula C₂₂H₂₃N₃O₂ and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
• PubChem CID: 109176772
• Molecular Formula: C₂₂H₂₃N₃O₂
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.18
• IUPAC Name: 2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
• SMILES: COc1ccc(C)cc1NC(=O)c1ccnc(Nc2c(C)cccc2C)c1
• InChI: InChI=1S/C22H23N3O2/c1-14-8-9-19(27-4)18(12-14)24-22(26)17-10-11-23-20(13-17)25-21-15(2)6-5-7-16(21)3/h5-13H,1-4H3,(H,23,25)(H,24,26)
• InChIKey: PLTPLEBVXMCJMG-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?

The IUPAC name of 2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide (CID 109176772) is 2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide.

What is the SMILES notation for 2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?

The canonical SMILES for 2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1ccnc(Nc2c(C)cccc2C)c1.

What is the InChIKey of 2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?

The InChIKey is PLTPLEBVXMCJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-8-9-19(27-4)18(12-14)24-22(26)17-10-11-23-20(13-17)25-21-15(2)6-5-7-16(21)3/h5-13H,1-4H3,(H,23,25)(H,24,26).

What are the key properties of 2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?

2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109176772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 109176772 — identifiers, structure, computed properties (public domain)

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