5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide

C34H34N8O4 — CID 20755648

About 5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide

5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide (PubChem CID 20755648) has the molecular formula C34H34N8O4 and a molecular weight of 618.70 g/mol. Its IUPAC name is 5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
• PubChem CID: 20755648
• Molecular Formula: C34H34N8O4
• Molecular Weight: 618.70 g/mol
• Exact Mass: 618.27
• IUPAC Name: 5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
• SMILES: CCCNC(=O)c1cc2ccc(NC(=O)c3cc4cc(C(=O)Nc5ccc6cc(C(=O)NCCNC)[nH]c6c5)ccc4[nH]3)cc2[nH]1
• InChI: InChI=1S/C34H34N8O4/c1-3-10-36-32(44)28-14-20-5-8-24(18-27(20)41-28)39-34(46)30-16-22-13-21(6-9-25(22)40-30)31(43)38-23-7-4-19-15-29(42-26(19)17-23)33(45)37-12-11-35-2/h4-9,13-18,35,40-42H,3,10-12H2,1-2H3,(H,36,44)(H,37,45)(H,38,43)(H,39,46)
• InChIKey: SNQAVTSRGNOQKY-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 175.80 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.70
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide?

The IUPAC name of 5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide (CID 20755648) is 5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide.

What is the SMILES notation for 5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide?

The canonical SMILES for 5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide is CCCNC(=O)c1cc2ccc(NC(=O)c3cc4cc(C(=O)Nc5ccc6cc(C(=O)NCCNC)[nH]c6c5)ccc4[nH]3)cc2[nH]1.

What is the InChIKey of 5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide?

The InChIKey is SNQAVTSRGNOQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N8O4/c1-3-10-36-32(44)28-14-20-5-8-24(18-27(20)41-28)39-34(46)30-16-22-13-21(6-9-25(22)40-30)31(43)38-23-7-4-19-15-29(42-26(19)17-23)33(45)37-12-11-35-2/h4-9,13-18,35,40-42H,3,10-12H2,1-2H3,(H,36,44)(H,37,45)(H,38,43)(H,39,46).

What are the key properties of 5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide?

5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide has a molecular weight of 618.70 g/mol, XLogP of 4.72, 11 rotatable bonds, 8 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide is sourced from PubChem (CID 20755648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).