2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide

C23H22N4O3 — CID 53121697

About 2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide

2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 53121697) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
• PubChem CID: 53121697
• Molecular Formula: C23H22N4O3
• Molecular Weight: 402.45 g/mol
• Exact Mass: 402.17
• IUPAC Name: 2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
• SMILES: Cc1cccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4CC3C)ccc2=O)c1
• InChI: InChI=1S/C23H22N4O3/c1-15-6-5-8-18(12-15)24-21(28)14-26-22(29)11-10-19(25-26)23(30)27-16(2)13-17-7-3-4-9-20(17)27/h3-12,16H,13-14H2,1-2H3,(H,24,28)
• InChIKey: PWUCSUILNCRYHM-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.45
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide?

The IUPAC name of 2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide (CID 53121697) is 2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide.

What is the SMILES notation for 2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide?

The canonical SMILES for 2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4CC3C)ccc2=O)c1.

What is the InChIKey of 2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide?

The InChIKey is PWUCSUILNCRYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-6-5-8-18(12-15)24-21(28)14-26-22(29)11-10-19(25-26)23(30)27-16(2)13-17-7-3-4-9-20(17)27/h3-12,16H,13-14H2,1-2H3,(H,24,28).

What are the key properties of 2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide?

2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 402.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53121697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).