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

C29H35N5O3 — CID 46147399

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

N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide (PubChem CID 46147399) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
• PubChem CID: 46147399
• Molecular Formula: C29H35N5O3
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.27
• IUPAC Name: N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
• SMILES: COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4ccccc4C)CC3)nn2)cc1
• InChI: InChI=1S/C29H35N5O3/c1-21(2)19-34(29(36)25-8-6-5-7-22(25)3)20-28(35)33-17-15-32(16-18-33)27-14-13-26(30-31-27)23-9-11-24(37-4)12-10-23/h5-14,21H,15-20H2,1-4H3
• InChIKey: AXFIFTVOQKDSIP-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 78.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	3.91
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]-2-methyl-N-(2-methylpropyl)benzamide?

The IUPAC name of N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide (CID 46147399) is N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide.

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

The canonical SMILES for N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide is COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4ccccc4C)CC3)nn2)cc1.

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

The InChIKey is AXFIFTVOQKDSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-21(2)19-34(29(36)25-8-6-5-7-22(25)3)20-28(35)33-17-15-32(16-18-33)27-14-13-26(30-31-27)23-9-11-24(37-4)12-10-23/h5-14,21H,15-20H2,1-4H3.

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

N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 501.63 g/mol, XLogP of 3.91, 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]-2-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46147399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).