N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)acetamide

C28H33N5O4 — CID 46000643

About N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)acetamide

N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)acetamide (PubChem CID 46000643) has the molecular formula C28H33N5O4 and a molecular weight of 503.60 g/mol. Its IUPAC name is N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)acetamide
• PubChem CID: 46000643
• Molecular Formula: C28H33N5O4
• Molecular Weight: 503.60 g/mol
• Exact Mass: 503.25
• IUPAC Name: N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)acetamide
• SMILES: COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(C)=O)C(C)c4ccccc4)CC3)nn2)cc1OC
• InChI: InChI=1S/C28H33N5O4/c1-20(22-8-6-5-7-9-22)33(21(2)34)19-28(35)32-16-14-31(15-17-32)27-13-11-24(29-30-27)23-10-12-25(36-3)26(18-23)37-4/h5-13,18,20H,14-17,19H2,1-4H3
• InChIKey: CSZQJSOLCRSBML-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 88.10 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.60
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)acetamide (CID 46000643) is N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)acetamide.

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

The canonical SMILES for N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)acetamide is COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(C)=O)C(C)c4ccccc4)CC3)nn2)cc1OC.

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

The InChIKey is CSZQJSOLCRSBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O4/c1-20(22-8-6-5-7-9-22)33(21(2)34)19-28(35)32-16-14-31(15-17-32)27-13-11-24(29-30-27)23-10-12-25(36-3)26(18-23)37-4/h5-13,18,20H,14-17,19H2,1-4H3.

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

N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)acetamide has a molecular weight of 503.60 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 46000643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).