3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide

C28H24N4OS — CID 23861563

About 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide

3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 23861563) has the molecular formula C28H24N4OS and a molecular weight of 464.59 g/mol. Its IUPAC name is 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
• PubChem CID: 23861563
• Molecular Formula: C28H24N4OS
• Molecular Weight: 464.59 g/mol
• Exact Mass: 464.17
• IUPAC Name: 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
• SMILES: Cc1ccc(-c2cc(-c3ccccc3)nc(SCCC(=O)Nc3cccc(C)n3)c2C#N)cc1
• InChI: InChI=1S/C28H24N4OS/c1-19-11-13-21(14-12-19)23-17-25(22-8-4-3-5-9-22)31-28(24(23)18-29)34-16-15-27(33)32-26-10-6-7-20(2)30-26/h3-14,17H,15-16H2,1-2H3,(H,30,32,33)
• InChIKey: CLSPSXJSCYTFSP-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.59
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?

The IUPAC name of 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide (CID 23861563) is 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide.

What is the SMILES notation for 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?

The canonical SMILES for 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide is Cc1ccc(-c2cc(-c3ccccc3)nc(SCCC(=O)Nc3cccc(C)n3)c2C#N)cc1.

What is the InChIKey of 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?

The InChIKey is CLSPSXJSCYTFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4OS/c1-19-11-13-21(14-12-19)23-17-25(22-8-4-3-5-9-22)31-28(24(23)18-29)34-16-15-27(33)32-26-10-6-7-20(2)30-26/h3-14,17H,15-16H2,1-2H3,(H,30,32,33).

What are the key properties of 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?

3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 464.59 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 23861563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).