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

C25H29N7O3 — CID 58747078

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

5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide (PubChem CID 58747078) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
• PubChem CID: 58747078
• Molecular Formula: C25H29N7O3
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.23
• IUPAC Name: 5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
• SMILES: CNCCNC(=O)c1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)NCCNC)cc4c3)cc2c1
• InChI: InChI=1S/C25H29N7O3/c1-26-7-9-28-23(33)15-3-5-19-16(11-15)13-22(32-19)25(35)30-18-4-6-20-17(12-18)14-21(31-20)24(34)29-10-8-27-2/h3-6,11-14,26-27,31-32H,7-10H2,1-2H3,(H,28,33)(H,29,34)(H,30,35)
• InChIKey: VXJAWILXOBOJBG-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 142.94 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	7
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-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide?

The IUPAC name of 5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide (CID 58747078) is 5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide.

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

The canonical SMILES for 5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide is CNCCNC(=O)c1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)NCCNC)cc4c3)cc2c1.

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

The InChIKey is VXJAWILXOBOJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-26-7-9-28-23(33)15-3-5-19-16(11-15)13-22(32-19)25(35)30-18-4-6-20-17(12-18)14-21(31-20)24(34)29-10-8-27-2/h3-6,11-14,26-27,31-32H,7-10H2,1-2H3,(H,28,33)(H,29,34)(H,30,35).

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

5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide has a molecular weight of 475.55 g/mol, XLogP of 1.80, 10 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide is sourced from PubChem (CID 58747078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).