2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide

C24H20ClN5O3 — CID 121051682

About 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide (PubChem CID 121051682) has the molecular formula C24H20ClN5O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
• PubChem CID: 121051682
• Molecular Formula: C24H20ClN5O3
• Molecular Weight: 461.91 g/mol
• Exact Mass: 461.13
• IUPAC Name: 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
• SMILES: O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCn1nc(-c2ccccc2)ccc1=O
• InChI: InChI=1S/C24H20ClN5O3/c25-19-8-6-18(7-9-19)21-11-13-24(33)30(28-21)16-22(31)26-14-15-29-23(32)12-10-20(27-29)17-4-2-1-3-5-17/h1-13H,14-16H2,(H,26,31)
• InChIKey: STSDVZJHFCRHJM-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 98.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.91
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide (CID 121051682) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide.

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

The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCn1nc(-c2ccccc2)ccc1=O.

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

The InChIKey is STSDVZJHFCRHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3/c25-19-8-6-18(7-9-19)21-11-13-24(33)30(28-21)16-22(31)26-14-15-29-23(32)12-10-20(27-29)17-4-2-1-3-5-17/h1-13H,14-16H2,(H,26,31).

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

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 461.91 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121051682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).