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

C29H25N3OS — CID 23775179

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

3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide (PubChem CID 23775179) has the molecular formula C29H25N3OS and a molecular weight of 463.61 g/mol. Its IUPAC name is 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide
• PubChem CID: 23775179
• Molecular Formula: C29H25N3OS
• Molecular Weight: 463.61 g/mol
• Exact Mass: 463.17
• IUPAC Name: 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide
• SMILES: Cc1ccc(-c2cc(-c3ccccc3)nc(SCCC(=O)Nc3ccccc3C)c2C#N)cc1
• InChI: InChI=1S/C29H25N3OS/c1-20-12-14-22(15-13-20)24-18-27(23-9-4-3-5-10-23)32-29(25(24)19-30)34-17-16-28(33)31-26-11-7-6-8-21(26)2/h3-15,18H,16-17H2,1-2H3,(H,31,33)
• InChIKey: SJYAURFXAAKLIX-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 65.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.61
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide (CID 23775179) is 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide.

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

The canonical SMILES for 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide is Cc1ccc(-c2cc(-c3ccccc3)nc(SCCC(=O)Nc3ccccc3C)c2C#N)cc1.

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

The InChIKey is SJYAURFXAAKLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3OS/c1-20-12-14-22(15-13-20)24-18-27(23-9-4-3-5-10-23)32-29(25(24)19-30)34-17-16-28(33)31-26-11-7-6-8-21(26)2/h3-15,18H,16-17H2,1-2H3,(H,31,33).

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

3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide has a molecular weight of 463.61 g/mol, XLogP of 7.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 23775179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).