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

C34H37N5O5 — CID 46001421

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

N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methoxy-N-(2-phenylethyl)benzamide (PubChem CID 46001421) has the molecular formula C34H37N5O5 and a molecular weight of 595.70 g/mol. Its IUPAC name is N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methoxy-N-(2-phenylethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methoxy-N-(2-phenylethyl)benzamide
• PubChem CID: 46001421
• Molecular Formula: C34H37N5O5
• Molecular Weight: 595.70 g/mol
• Exact Mass: 595.28
• IUPAC Name: N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methoxy-N-(2-phenylethyl)benzamide
• SMILES: COc1cccc(C(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3ccc(-c4ccc(OC)cc4OC)nn3)CC2)c1
• InChI: InChI=1S/C34H37N5O5/c1-42-27-11-7-10-26(22-27)34(41)39(17-16-25-8-5-4-6-9-25)24-33(40)38-20-18-37(19-21-38)32-15-14-30(35-36-32)29-13-12-28(43-2)23-31(29)44-3/h4-15,22-23H,16-21,24H2,1-3H3
• InChIKey: DJHDTVXIQDFTPR-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 97.33 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.70
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methoxy-N-(2-phenylethyl)benzamide (CID 46001421) is N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methoxy-N-(2-phenylethyl)benzamide.

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

The canonical SMILES for N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methoxy-N-(2-phenylethyl)benzamide is COc1cccc(C(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3ccc(-c4ccc(OC)cc4OC)nn3)CC2)c1.

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

The InChIKey is DJHDTVXIQDFTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O5/c1-42-27-11-7-10-26(22-27)34(41)39(17-16-25-8-5-4-6-9-25)24-33(40)38-20-18-37(19-21-38)32-15-14-30(35-36-32)29-13-12-28(43-2)23-31(29)44-3/h4-15,22-23H,16-21,24H2,1-3H3.

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

N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methoxy-N-(2-phenylethyl)benzamide has a molecular weight of 595.70 g/mol, XLogP of 4.20, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methoxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 46001421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).