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

C24H22N4O5 — CID 95089874

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 95089874) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• PubChem CID: 95089874
• Molecular Formula: C24H22N4O5
• Molecular Weight: 446.46 g/mol
• Exact Mass: 446.16
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• SMILES: C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)n1
• InChI: InChI=1S/C24H22N4O5/c1-15-12-16-4-2-3-5-19(16)28(15)24(31)18-7-9-23(30)27(26-18)14-22(29)25-17-6-8-20-21(13-17)33-11-10-32-20/h2-9,13,15H,10-12,14H2,1H3,(H,25,29)/t15-/m1/s1
• InChIKey: DLAFCRQOFYJYCX-OAHLLOKOSA-N
• XLogP: 2.24
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.46
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (CID 95089874) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

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

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)n1.

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

The InChIKey is DLAFCRQOFYJYCX-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-15-12-16-4-2-3-5-19(16)28(15)24(31)18-7-9-23(30)27(26-18)14-22(29)25-17-6-8-20-21(13-17)33-11-10-32-20/h2-9,13,15H,10-12,14H2,1H3,(H,25,29)/t15-/m1/s1.

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 446.46 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 95089874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).