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

C104H204N6O50 — CID 70686334

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

3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide (PubChem CID 70686334) has the molecular formula C104H204N6O50 and a molecular weight of 2338.77 g/mol. Its IUPAC name is 3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
• PubChem CID: 70686334
• Molecular Formula: C104H204N6O50
• Molecular Weight: 2338.77 g/mol
• Exact Mass: 2337.36
• IUPAC Name: 3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
• SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1nc(N)c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)nc1N
• InChI: InChI=1S/C104H204N6O50/c1-113-7-9-117-15-17-121-23-25-125-31-33-129-39-41-133-47-49-137-55-57-141-63-65-145-71-73-149-79-81-153-87-89-157-95-97-159-93-91-155-85-83-151-77-75-147-69-67-143-61-59-139-53-51-135-45-43-131-37-35-127-29-27-123-21-19-119-13-11-115-5-3-107-103(111)99-101(105)110-100(102(106)109-99)104(112)108-4-6-116-12-14-120-20-22-124-28-30-128-36-38-132-44-46-136-52-54-140-60-62-144-68-70-148-76-78-152-84-86-156-92-94-160-98-96-158-90-88-154-82-80-150-74-72-146-66-64-142-58-56-138-50-48-134-42-40-130-34-32-126-26-24-122-18-16-118-10-8-114-2/h3-98H2,1-2H3,(H2,106,109)(H2,105,110)(H,107,111)(H,108,112)
• InChIKey: KOFLHZCTHXUDGX-UHFFFAOYSA-N
• XLogP: -0.84
• TPSA: 579.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 54
• Rotatable Bonds: 146
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2338.77
LogP ≤ 5	-0.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	54

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,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide?

The IUPAC name of 3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide (CID 70686334) is 3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide.

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

The canonical SMILES for 3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1nc(N)c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)nc1N.

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

The InChIKey is KOFLHZCTHXUDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H204N6O50/c1-113-7-9-117-15-17-121-23-25-125-31-33-129-39-41-133-47-49-137-55-57-141-63-65-145-71-73-149-79-81-153-87-89-157-95-97-159-93-91-155-85-83-151-77-75-147-69-67-143-61-59-139-53-51-135-45-43-131-37-35-127-29-27-123-21-19-119-13-11-115-5-3-107-103(111)99-101(105)110-100(102(106)109-99)104(112)108-4-6-116-12-14-120-20-22-124-28-30-128-36-38-132-44-46-136-52-54-140-60-62-144-68-70-148-76-78-152-84-86-156-92-94-160-98-96-158-90-88-154-82-80-150-74-72-146-66-64-142-58-56-138-50-48-134-42-40-130-34-32-126-26-24-122-18-16-118-10-8-114-2/h3-98H2,1-2H3,(H2,106,109)(H2,105,110)(H,107,111)(H,108,112).

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

3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide has a molecular weight of 2338.77 g/mol, XLogP of -0.84, 146 rotatable bonds, 4 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 70686334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).