N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide

C32H33N5O3 — CID 46147783

About N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide

N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide (PubChem CID 46147783) has the molecular formula C32H33N5O3 and a molecular weight of 535.65 g/mol. Its IUPAC name is N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide
• PubChem CID: 46147783
• Molecular Formula: C32H33N5O3
• Molecular Weight: 535.65 g/mol
• Exact Mass: 535.26
• IUPAC Name: N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide
• SMILES: COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccccc4)C(C)c4ccccc4)CC3)nn2)cc1
• InChI: InChI=1S/C32H33N5O3/c1-24(25-9-5-3-6-10-25)37(32(39)27-11-7-4-8-12-27)23-31(38)36-21-19-35(20-22-36)30-18-17-29(33-34-30)26-13-15-28(40-2)16-14-26/h3-18,24H,19-23H2,1-2H3
• InChIKey: FQYKBHGXLCYHIN-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 78.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.65
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide?

The IUPAC name of N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide (CID 46147783) is N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide.

What is the SMILES notation for N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide?

The canonical SMILES for N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide is COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccccc4)C(C)c4ccccc4)CC3)nn2)cc1.

What is the InChIKey of N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide?

The InChIKey is FQYKBHGXLCYHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O3/c1-24(25-9-5-3-6-10-25)37(32(39)27-11-7-4-8-12-27)23-31(38)36-21-19-35(20-22-36)30-18-17-29(33-34-30)26-13-15-28(40-2)16-14-26/h3-18,24H,19-23H2,1-2H3.

What are the key properties of N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide?

N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide has a molecular weight of 535.65 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 46147783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).