N-[2-(diethylamino)ethyl]-N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methoxyacetamide

C27H40N6O5 — CID 46002704

About N-[2-(diethylamino)ethyl]-N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methoxyacetamide

N-[2-(diethylamino)ethyl]-N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methoxyacetamide (PubChem CID 46002704) has the molecular formula C27H40N6O5 and a molecular weight of 528.65 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methoxyacetamide
• PubChem CID: 46002704
• Molecular Formula: C27H40N6O5
• Molecular Weight: 528.65 g/mol
• Exact Mass: 528.31
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methoxyacetamide
• SMILES: CCN(CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)COC
• InChI: InChI=1S/C27H40N6O5/c1-6-30(7-2)12-13-33(27(35)20-36-3)19-26(34)32-16-14-31(15-17-32)25-11-10-23(28-29-25)22-9-8-21(37-4)18-24(22)38-5/h8-11,18H,6-7,12-17,19-20H2,1-5H3
• InChIKey: CLMHTTCOYQUTGM-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 100.57 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.65
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)ethyl]-N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methoxyacetamide (CID 46002704) is N-[2-(diethylamino)ethyl]-N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methoxyacetamide.

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

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methoxyacetamide is CCN(CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)COC.

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

The InChIKey is CLMHTTCOYQUTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O5/c1-6-30(7-2)12-13-33(27(35)20-36-3)19-26(34)32-16-14-31(15-17-32)25-11-10-23(28-29-25)22-9-8-21(37-4)18-24(22)38-5/h8-11,18H,6-7,12-17,19-20H2,1-5H3.

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

N-[2-(diethylamino)ethyl]-N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methoxyacetamide has a molecular weight of 528.65 g/mol, XLogP of 1.63, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methoxyacetamide is sourced from PubChem (CID 46002704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).