2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

C₂₂H₂₁ClN₄O₃ — CID 121051681

About 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 121051681) has the molecular formula C₂₂H₂₁ClN₄O₃ and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
• PubChem CID: 121051681
• Molecular Formula: C₂₂H₂₁ClN₄O₃
• Molecular Weight: 424.89 g/mol
• Exact Mass: 424.13
• IUPAC Name: 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
• SMILES: O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccc(N2CCOCC2)cc1
• InChI: InChI=1S/C22H21ClN4O3/c23-17-3-1-16(2-4-17)20-9-10-22(29)27(25-20)15-21(28)24-18-5-7-19(8-6-18)26-11-13-30-14-12-26/h1-10H,11-15H2,(H,24,28)
• InChIKey: SRXPVJKBLCXNOJ-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.89
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?

The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 121051681) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?

The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccc(N2CCOCC2)cc1.

What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?

The InChIKey is SRXPVJKBLCXNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c23-17-3-1-16(2-4-17)20-9-10-22(29)27(25-20)15-21(28)24-18-5-7-19(8-6-18)26-11-13-30-14-12-26/h1-10H,11-15H2,(H,24,28).

What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 424.89 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 121051681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121051681 — identifiers, structure, computed properties (public domain)

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