N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide

C24H24N4O5 — CID 95089816

About N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 95089816) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• PubChem CID: 95089816
• Molecular Formula: C24H24N4O5
• Molecular Weight: 448.48 g/mol
• Exact Mass: 448.17
• IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• SMILES: COc1ccc(OC)c(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)c1
• InChI: InChI=1S/C24H24N4O5/c1-15-12-16-6-4-5-7-20(16)28(15)24(31)18-9-11-23(30)27(26-18)14-22(29)25-19-13-17(32-2)8-10-21(19)33-3/h4-11,13,15H,12,14H2,1-3H3,(H,25,29)/t15-/m1/s1
• InChIKey: RCQIQCPKNDPPCL-OAHLLOKOSA-N
• XLogP: 2.49
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.48
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (CID 95089816) is N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)c1.

What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

The InChIKey is RCQIQCPKNDPPCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-15-12-16-6-4-5-7-20(16)28(15)24(31)18-9-11-23(30)27(26-18)14-22(29)25-19-13-17(32-2)8-10-21(19)33-3/h4-11,13,15H,12,14H2,1-3H3,(H,25,29)/t15-/m1/s1.

What are the key properties of N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 448.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 95089816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).