2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide

C92H180N6O42 — CID 70686335

About 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide

2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide (PubChem CID 70686335) has the molecular formula C92H180N6O42 and a molecular weight of 2042.45 g/mol. Its IUPAC name is 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide
• PubChem CID: 70686335
• Molecular Formula: C92H180N6O42
• Molecular Weight: 2042.45 g/mol
• Exact Mass: 2041.21
• IUPAC Name: 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide
• SMILES: COCCOCCOCCOCCOCCOCCOCCOCCCNc1nc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c(NCCCOCCOCCOCCOCCOCCOCCOCCOC)nc1C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
• InChI: InChI=1S/C92H180N6O42/c1-101-15-19-109-31-35-117-47-51-125-63-67-129-59-55-121-43-39-113-27-23-105-11-5-7-93-89-87(91(99)95-9-13-107-25-29-115-41-45-123-57-61-131-71-73-135-79-81-139-85-83-137-77-75-133-69-65-127-53-49-119-37-33-111-21-17-103-3)98-90(94-8-6-12-106-24-28-114-40-44-122-56-60-130-68-64-126-52-48-118-36-32-110-20-16-102-2)88(97-89)92(100)96-10-14-108-26-30-116-42-46-124-58-62-132-72-74-136-80-82-140-86-84-138-78-76-134-70-66-128-54-50-120-38-34-112-22-18-104-4/h5-86H2,1-4H3,(H,93,97)(H,94,98)(H,95,99)(H,96,100)
• InChIKey: KNCBLGOLZNVLRM-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 477.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 46
• Rotatable Bonds: 126
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2042.45
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide?

The IUPAC name of 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide (CID 70686335) is 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide.

What is the SMILES notation for 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide?

The canonical SMILES for 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide is COCCOCCOCCOCCOCCOCCOCCOCCCNc1nc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c(NCCCOCCOCCOCCOCCOCCOCCOCCOC)nc1C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.

What is the InChIKey of 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide?

The InChIKey is KNCBLGOLZNVLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H180N6O42/c1-101-15-19-109-31-35-117-47-51-125-63-67-129-59-55-121-43-39-113-27-23-105-11-5-7-93-89-87(91(99)95-9-13-107-25-29-115-41-45-123-57-61-131-71-73-135-79-81-139-85-83-137-77-75-133-69-65-127-53-49-119-37-33-111-21-17-103-3)98-90(94-8-6-12-106-24-28-114-40-44-122-56-60-130-68-64-126-52-48-118-36-32-110-20-16-102-2)88(97-89)92(100)96-10-14-108-26-30-116-42-46-124-58-62-132-72-74-136-80-82-140-86-84-138-78-76-134-70-66-128-54-50-120-38-34-112-22-18-104-4/h5-86H2,1-4H3,(H,93,97)(H,94,98)(H,95,99)(H,96,100).

What are the key properties of 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide?

2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide has a molecular weight of 2042.45 g/mol, XLogP of 0.72, 126 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 70686335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).