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

C27H33N11O3 — CID 10461697

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

5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide (PubChem CID 10461697) has the molecular formula C27H33N11O3 and a molecular weight of 559.64 g/mol. Its IUPAC name is 5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
• PubChem CID: 10461697
• Molecular Formula: C27H33N11O3
• Molecular Weight: 559.64 g/mol
• Exact Mass: 559.28
• IUPAC Name: 5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
• SMILES: C/N=C(\N)NCCNC(=O)c1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)NCCN/C(N)=N/C)cc4c3)cc2c1
• InChI: InChI=1S/C27H33N11O3/c1-30-26(28)34-9-7-32-23(39)15-3-5-19-16(11-15)13-22(38-19)25(41)36-18-4-6-20-17(12-18)14-21(37-20)24(40)33-8-10-35-27(29)31-2/h3-6,11-14,37-38H,7-10H2,1-2H3,(H,32,39)(H,33,40)(H,36,41)(H3,28,30,34)(H3,29,31,35)
• InChIKey: BLSVXUKPPOAKJI-UHFFFAOYSA-N
• XLogP: 0.43
• TPSA: 219.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.64
LogP ≤ 5	0.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide?

The IUPAC name of 5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide (CID 10461697) is 5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide.

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

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

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

The InChIKey is BLSVXUKPPOAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N11O3/c1-30-26(28)34-9-7-32-23(39)15-3-5-19-16(11-15)13-22(38-19)25(41)36-18-4-6-20-17(12-18)14-21(37-20)24(40)33-8-10-35-27(29)31-2/h3-6,11-14,37-38H,7-10H2,1-2H3,(H,32,39)(H,33,40)(H,36,41)(H3,28,30,34)(H3,29,31,35).

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

5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide has a molecular weight of 559.64 g/mol, XLogP of 0.43, 10 rotatable bonds, 9 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide is sourced from PubChem (CID 10461697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).