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

C25H24N4O4 — CID 53066231

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

N-(3-acetylphenyl)-3-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 53066231) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-(3-acetylphenyl)-3-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]propanamide
• PubChem CID: 53066231
• Molecular Formula: C25H24N4O4
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.18
• IUPAC Name: N-(3-acetylphenyl)-3-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]propanamide
• SMILES: CC(=O)c1cccc(NC(=O)CCn2nc(C(=O)N3c4ccccc4CC3C)ccc2=O)c1
• InChI: InChI=1S/C25H24N4O4/c1-16-14-19-6-3-4-9-22(19)29(16)25(33)21-10-11-24(32)28(27-21)13-12-23(31)26-20-8-5-7-18(15-20)17(2)30/h3-11,15-16H,12-14H2,1-2H3,(H,26,31)
• InChIKey: QQBWMQULFBDRAB-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 101.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(3-acetylphenyl)-3-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]propanamide (CID 53066231) is N-(3-acetylphenyl)-3-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]propanamide.

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

The canonical SMILES for N-(3-acetylphenyl)-3-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]propanamide is CC(=O)c1cccc(NC(=O)CCn2nc(C(=O)N3c4ccccc4CC3C)ccc2=O)c1.

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

The InChIKey is QQBWMQULFBDRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-16-14-19-6-3-4-9-22(19)29(16)25(33)21-10-11-24(32)28(27-21)13-12-23(31)26-20-8-5-7-18(15-20)17(2)30/h3-11,15-16H,12-14H2,1-2H3,(H,26,31).

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

N-(3-acetylphenyl)-3-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 444.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetylphenyl)-3-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 53066231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).