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

C32H33N5O3 — CID 46147115

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

N-benzyl-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide (PubChem CID 46147115) has the molecular formula C32H33N5O3 and a molecular weight of 535.65 g/mol. Its IUPAC name is N-benzyl-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-benzyl-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
• PubChem CID: 46147115
• Molecular Formula: C32H33N5O3
• Molecular Weight: 535.65 g/mol
• Exact Mass: 535.26
• IUPAC Name: N-benzyl-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
• SMILES: COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)c4ccc(C)cc4)CC3)nn2)cc1
• InChI: InChI=1S/C32H33N5O3/c1-24-8-10-27(11-9-24)32(39)37(22-25-6-4-3-5-7-25)23-31(38)36-20-18-35(19-21-36)30-17-16-29(33-34-30)26-12-14-28(40-2)15-13-26/h3-17H,18-23H2,1-2H3
• InChIKey: XZLBVOXWTJMYTO-UHFFFAOYSA-N
• XLogP: 4.45
• 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	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-benzyl-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide (CID 46147115) is N-benzyl-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide.

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

The canonical SMILES for N-benzyl-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide is COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)c4ccc(C)cc4)CC3)nn2)cc1.

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

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

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

N-benzyl-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 535.65 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 46147115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).