2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide

C24H23N5OS — CID 170908775

About 2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide

2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 170908775) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide
• PubChem CID: 170908775
• Molecular Formula: C24H23N5OS
• Molecular Weight: 429.55 g/mol
• Exact Mass: 429.16
• IUPAC Name: 2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(/N=N/c2c(C)nc(SCC(=O)Nc3ccc(C)cc3)c(C#N)c2C)cc1
• InChI: InChI=1S/C24H23N5OS/c1-15-5-9-19(10-6-15)27-22(30)14-31-24-21(13-25)17(3)23(18(4)26-24)29-28-20-11-7-16(2)8-12-20/h5-12H,14H2,1-4H3,(H,27,30)/b29-28+
• InChIKey: ABIJXZURHCYWNY-ZQHSETAFSA-N
• XLogP: 6.33
• TPSA: 90.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.55
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide (CID 170908775) is 2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(/N=N/c2c(C)nc(SCC(=O)Nc3ccc(C)cc3)c(C#N)c2C)cc1.

What is the InChIKey of 2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide?

The InChIKey is ABIJXZURHCYWNY-ZQHSETAFSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-15-5-9-19(10-6-15)27-22(30)14-31-24-21(13-25)17(3)23(18(4)26-24)29-28-20-11-7-16(2)8-12-20/h5-12H,14H2,1-4H3,(H,27,30)/b29-28+.

What are the key properties of 2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide?

2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 429.55 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-cyano-4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 170908775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).