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

C30H37N5O4 — CID 42833302

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

N-butyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 42833302) has the molecular formula C30H37N5O4 and a molecular weight of 531.66 g/mol. Its IUPAC name is N-butyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-butyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
• PubChem CID: 42833302
• Molecular Formula: C30H37N5O4
• Molecular Weight: 531.66 g/mol
• Exact Mass: 531.28
• IUPAC Name: N-butyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
• SMILES: CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)Cc1ccccc1
• InChI: InChI=1S/C30H37N5O4/c1-4-5-15-35(29(36)20-23-9-7-6-8-10-23)22-30(37)34-18-16-33(17-19-34)28-14-12-25(31-32-28)24-11-13-26(38-2)27(21-24)39-3/h6-14,21H,4-5,15-20,22H2,1-3H3
• InChIKey: IVVOLALGAWHGKH-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 88.10 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.66
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-butyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide (CID 42833302) is N-butyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide.

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

The canonical SMILES for N-butyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide is CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)Cc1ccccc1.

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

The InChIKey is IVVOLALGAWHGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O4/c1-4-5-15-35(29(36)20-23-9-7-6-8-10-23)22-30(37)34-18-16-33(17-19-34)28-14-12-25(31-32-28)24-11-13-26(38-2)27(21-24)39-3/h6-14,21H,4-5,15-20,22H2,1-3H3.

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

N-butyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 531.66 g/mol, XLogP of 3.68, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 42833302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).