2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide

C18H20N4O2 — CID 8537513

About 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 8537513) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
• PubChem CID: 8537513
• Molecular Formula: C18H20N4O2
• Molecular Weight: 324.38 g/mol
• Exact Mass: 324.16
• IUPAC Name: 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
• SMILES: Cc1nn(CC(=O)Nc2ccccc2C(C)C)c(=O)c(C#N)c1C
• InChI: InChI=1S/C18H20N4O2/c1-11(2)14-7-5-6-8-16(14)20-17(23)10-22-18(24)15(9-19)12(3)13(4)21-22/h5-8,11H,10H2,1-4H3,(H,20,23)
• InChIKey: GEZYRAGRTNSUPL-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 87.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.38
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 8537513) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide is Cc1nn(CC(=O)Nc2ccccc2C(C)C)c(=O)c(C#N)c1C.

What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?

The InChIKey is GEZYRAGRTNSUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11(2)14-7-5-6-8-16(14)20-17(23)10-22-18(24)15(9-19)12(3)13(4)21-22/h5-8,11H,10H2,1-4H3,(H,20,23).

What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 8537513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).