N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide

C30H38N6O2 — CID 42836553

About N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide

N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide (PubChem CID 42836553) has the molecular formula C30H38N6O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide
• PubChem CID: 42836553
• Molecular Formula: C30H38N6O2
• Molecular Weight: 514.67 g/mol
• Exact Mass: 514.31
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide
• SMILES: CCN(CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(C)=O
• InChI: InChI=1S/C30H38N6O2/c1-4-33(5-2)17-18-36(24(3)37)23-30(38)35-21-19-34(20-22-35)29-16-15-28(31-32-29)27-13-11-26(12-14-27)25-9-7-6-8-10-25/h6-16H,4-5,17-23H2,1-3H3
• InChIKey: WRUGUOFAYUWWCA-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 72.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.67
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide (CID 42836553) is N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide is CCN(CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(C)=O.

What is the InChIKey of N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide?

The InChIKey is WRUGUOFAYUWWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O2/c1-4-33(5-2)17-18-36(24(3)37)23-30(38)35-21-19-34(20-22-35)29-16-15-28(31-32-29)27-13-11-26(12-14-27)25-9-7-6-8-10-25/h6-16H,4-5,17-23H2,1-3H3.

What are the key properties of N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide?

N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 514.67 g/mol, XLogP of 3.65, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 42836553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).