N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide

C24H24N4O3 — CID 95089781

About N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide

N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 95089781) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• PubChem CID: 95089781
• Molecular Formula: C24H24N4O3
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.18
• IUPAC Name: N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• SMILES: CCc1ccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)cc1
• InChI: InChI=1S/C24H24N4O3/c1-3-17-8-10-19(11-9-17)25-22(29)15-27-23(30)13-12-20(26-27)24(31)28-16(2)14-18-6-4-5-7-21(18)28/h4-13,16H,3,14-15H2,1-2H3,(H,25,29)/t16-/m1/s1
• InChIKey: WZSAWYWBBGQVFY-MRXNPFEDSA-N
• XLogP: 3.04
• 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	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

The IUPAC name of N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (CID 95089781) is N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

What is the SMILES notation for N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

The canonical SMILES for N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is CCc1ccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)cc1.

What is the InChIKey of N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

The InChIKey is WZSAWYWBBGQVFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-3-17-8-10-19(11-9-17)25-22(29)15-27-23(30)13-12-20(26-27)24(31)28-16(2)14-18-6-4-5-7-21(18)28/h4-13,16H,3,14-15H2,1-2H3,(H,25,29)/t16-/m1/s1.

What are the key properties of N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 95089781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).