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

C30H37N5O4 — CID 46000662

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

N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-phenylethyl)propanamide (PubChem CID 46000662) has the molecular formula C30H37N5O4 and a molecular weight of 531.66 g/mol. Its IUPAC name is N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-phenylethyl)propanamide.

Molecular Properties

• Compound Name: N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-phenylethyl)propanamide
• PubChem CID: 46000662
• Molecular Formula: C30H37N5O4
• Molecular Weight: 531.66 g/mol
• Exact Mass: 531.28
• IUPAC Name: N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-phenylethyl)propanamide
• SMILES: COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)C(C)C)CC3)nn2)cc1OC
• InChI: InChI=1S/C30H37N5O4/c1-22(2)30(37)35(15-14-23-8-6-5-7-9-23)21-29(36)34-18-16-33(17-19-34)28-13-11-25(31-32-28)24-10-12-26(38-3)27(20-24)39-4/h5-13,20,22H,14-19,21H2,1-4H3
• InChIKey: MMMKQSPCFNJJBT-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 88.10 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.66
LogP ≤ 5	3.54
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]-2-methyl-N-(2-phenylethyl)propanamide?

The IUPAC name of N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-phenylethyl)propanamide (CID 46000662) is N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-phenylethyl)propanamide.

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

The canonical SMILES for N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-phenylethyl)propanamide is COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)C(C)C)CC3)nn2)cc1OC.

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

The InChIKey is MMMKQSPCFNJJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O4/c1-22(2)30(37)35(15-14-23-8-6-5-7-9-23)21-29(36)34-18-16-33(17-19-34)28-13-11-25(31-32-28)24-10-12-26(38-3)27(20-24)39-4/h5-13,20,22H,14-19,21H2,1-4H3.

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

N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-phenylethyl)propanamide has a molecular weight of 531.66 g/mol, XLogP of 3.54, 10 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]-2-methyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 46000662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).