2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide

C20H23Cl2N3O3 — CID 169318868

About 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide

2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide (PubChem CID 169318868) has the molecular formula C20H23Cl2N3O3 and a molecular weight of 424.33 g/mol. Its IUPAC name is 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
• PubChem CID: 169318868
• Molecular Formula: C20H23Cl2N3O3
• Molecular Weight: 424.33 g/mol
• Exact Mass: 423.11
• IUPAC Name: 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
• SMILES: CC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C20H23Cl2N3O3/c1-11(2)19-15(14-6-12(21)4-5-16(14)22)7-18(27)25(24-19)10-17(26)23-13-8-20(3,28)9-13/h4-7,11,13,28H,8-10H2,1-3H3,(H,23,26)
• InChIKey: CDVBQWUEKVGKHD-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.33
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?

The IUPAC name of 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide (CID 169318868) is 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide.

What is the SMILES notation for 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?

The canonical SMILES for 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide is CC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1cc(Cl)ccc1Cl.

What is the InChIKey of 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?

The InChIKey is CDVBQWUEKVGKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3/c1-11(2)19-15(14-6-12(21)4-5-16(14)22)7-18(27)25(24-19)10-17(26)23-13-8-20(3,28)9-13/h4-7,11,13,28H,8-10H2,1-3H3,(H,23,26).

What are the key properties of 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?

2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide has a molecular weight of 424.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 169318868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).