3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide

C35H65N7O15 — CID 59294335

About 3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide

3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide (PubChem CID 59294335) has the molecular formula C35H65N7O15 and a molecular weight of 823.94 g/mol. Its IUPAC name is 3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide
• PubChem CID: 59294335
• Molecular Formula: C35H65N7O15
• Molecular Weight: 823.94 g/mol
• Exact Mass: 823.45
• IUPAC Name: 3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide
• SMILES: CNC(=O)c1nc(N)c(C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)nc1N
• InChI: InChI=1S/C35H65N7O15/c1-38-34(44)30-32(36)42-31(33(37)41-30)35(45)40-5-4-39-29(43)3-6-47-9-10-49-13-14-51-17-18-53-21-22-55-25-26-57-28-27-56-24-23-54-20-19-52-16-15-50-12-11-48-8-7-46-2/h3-28H2,1-2H3,(H2,36,42)(H2,37,41)(H,38,44)(H,39,43)(H,40,45)
• InChIKey: IKEXDWQXMZNNHZ-UHFFFAOYSA-N
• XLogP: -1.93
• TPSA: 275.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 41
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.94
LogP ≤ 5	-1.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide?

The IUPAC name of 3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide (CID 59294335) is 3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide.

What is the SMILES notation for 3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide?

The canonical SMILES for 3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide is CNC(=O)c1nc(N)c(C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)nc1N.

What is the InChIKey of 3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide?

The InChIKey is IKEXDWQXMZNNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H65N7O15/c1-38-34(44)30-32(36)42-31(33(37)41-30)35(45)40-5-4-39-29(43)3-6-47-9-10-49-13-14-51-17-18-53-21-22-55-25-26-57-28-27-56-24-23-54-20-19-52-16-15-50-12-11-48-8-7-46-2/h3-28H2,1-2H3,(H2,36,42)(H2,37,41)(H,38,44)(H,39,43)(H,40,45).

What are the key properties of 3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide?

3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide has a molecular weight of 823.94 g/mol, XLogP of -1.93, 41 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-diamino-2-N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-5-N-methylpyrazine-2,5-dicarboxamide is sourced from PubChem (CID 59294335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).