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

C24H24N4O3 — CID 95067862

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

3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide (PubChem CID 95067862) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide
• PubChem CID: 95067862
• Molecular Formula: C24H24N4O3
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.18
• IUPAC Name: 3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide
• SMILES: Cc1ccccc1NC(=O)CCn1nc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O
• InChI: InChI=1S/C24H24N4O3/c1-16-7-3-5-9-19(16)25-22(29)13-14-27-23(30)12-11-20(26-27)24(31)28-17(2)15-18-8-4-6-10-21(18)28/h3-12,17H,13-15H2,1-2H3,(H,25,29)/t17-/m0/s1
• InChIKey: URHWVJGTFDKZER-KRWDZBQOSA-N
• XLogP: 3.17
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide (CID 95067862) is 3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide.

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

The canonical SMILES for 3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCn1nc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O.

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

The InChIKey is URHWVJGTFDKZER-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-7-3-5-9-19(16)25-22(29)13-14-27-23(30)12-11-20(26-27)24(31)28-17(2)15-18-8-4-6-10-21(18)28/h3-12,17H,13-15H2,1-2H3,(H,25,29)/t17-/m0/s1.

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

3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 416.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 95067862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).