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

C24H24N4O3 — CID 95089844

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

N-(2,6-dimethylphenyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 95089844) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• PubChem CID: 95089844
• Molecular Formula: C24H24N4O3
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.18
• IUPAC Name: N-(2,6-dimethylphenyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• SMILES: Cc1cccc(C)c1NC(=O)Cn1nc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O
• InChI: InChI=1S/C24H24N4O3/c1-15-7-6-8-16(2)23(15)25-21(29)14-27-22(30)12-11-19(26-27)24(31)28-17(3)13-18-9-4-5-10-20(18)28/h4-12,17H,13-14H2,1-3H3,(H,25,29)/t17-/m0/s1
• InChIKey: VEKRZUOKOZEFQQ-KRWDZBQOSA-N
• XLogP: 3.09
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2,6-dimethylphenyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (CID 95089844) is N-(2,6-dimethylphenyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

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

The canonical SMILES for N-(2,6-dimethylphenyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)Cn1nc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O.

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

The InChIKey is VEKRZUOKOZEFQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-7-6-8-16(2)23(15)25-21(29)14-27-22(30)12-11-19(26-27)24(31)28-17(3)13-18-9-4-5-10-20(18)28/h4-12,17H,13-14H2,1-3H3,(H,25,29)/t17-/m0/s1.

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

N-(2,6-dimethylphenyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 95089844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).