2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide

C23H22N4O4 — CID 16885885

About 2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide

2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (PubChem CID 16885885) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
• PubChem CID: 16885885
• Molecular Formula: C23H22N4O4
• Molecular Weight: 418.45 g/mol
• Exact Mass: 418.16
• IUPAC Name: 2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
• SMILES: CCOc1ccccc1C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1OC
• InChI: InChI=1S/C23H22N4O4/c1-4-31-19-8-6-5-7-16(19)23(28)25-17-13-15(9-10-20(17)29-2)18-14-27-21(24-18)11-12-22(26-27)30-3/h5-14H,4H2,1-3H3,(H,25,28)
• InChIKey: NZSDICCKPJFDLD-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 86.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.45
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?

The IUPAC name of 2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (CID 16885885) is 2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.

What is the SMILES notation for 2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?

The canonical SMILES for 2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1OC.

What is the InChIKey of 2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?

The InChIKey is NZSDICCKPJFDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-4-31-19-8-6-5-7-16(19)23(28)25-17-13-15(9-10-20(17)29-2)18-14-27-21(24-18)11-12-22(26-27)30-3/h5-14H,4H2,1-3H3,(H,25,28).

What are the key properties of 2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?

2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide has a molecular weight of 418.45 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 16885885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).