3,6-diamino-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]pyrazine-2,5-dicarboxamide

About 3,6-diamino-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]pyrazine-2,5-dicarboxamide

3,6-diamino-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]pyrazine-2,5-dicarboxamide (PubChem CID 70686333) has the molecular formula C56H108N6O26 and a molecular weight of 1281.50 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-methoxyethoxy)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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
PubChem CID	70686333
Molecular Formula	C56H108N6O26
Molecular Weight	1281.50 g/mol
Exact Mass	1280.73
IUPAC Name	3,6-diamino-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]pyrazine-2,5-dicarboxamide
SMILES	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1nc(N)c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)nc1N
InChI	InChI=1S/C56H108N6O26/c1-65-7-9-69-15-17-73-23-25-77-31-33-81-39-41-85-47-49-87-45-43-83-37-35-79-29-27-75-21-19-71-13-11-67-5-3-59-55(63)51-53(57)62-52(54(58)61-51)56(64)60-4-6-68-12-14-72-20-22-76-28-30-80-36-38-84-44-46-88-50-48-86-42-40-82-34-32-78-26-24-74-18-16-70-10-8-66-2/h3-50H2,1-2H3,(H2,58,61)(H2,57,62)(H,59,63)(H,60,64)
InChIKey	DCEXABWAXCKYFT-UHFFFAOYSA-N
XLogP	-1.24
TPSA	357.54 Å²
H-Bond Donors	4
H-Bond Acceptors	30
Rotatable Bonds	74
Heavy Atoms	88
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1281.50
LogP ≤ 5	-1.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Related Compounds

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-methoxyethoxy)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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide (CID 70686333) is 3,6-diamino-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]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-methoxyethoxy)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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1nc(N)c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide?

The InChIKey is DCEXABWAXCKYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H108N6O26/c1-65-7-9-69-15-17-73-23-25-77-31-33-81-39-41-85-47-49-87-45-43-83-37-35-79-29-27-75-21-19-71-13-11-67-5-3-59-55(63)51-53(57)62-52(54(58)61-51)56(64)60-4-6-68-12-14-72-20-22-76-28-30-80-36-38-84-44-46-88-50-48-86-42-40-82-34-32-78-26-24-74-18-16-70-10-8-66-2/h3-50H2,1-2H3,(H2,58,61)(H2,57,62)(H,59,63)(H,60,64).

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-methoxyethoxy)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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide has a molecular weight of 1281.50 g/mol, XLogP of -1.24, 74 rotatable bonds, 4 hydrogen bond donors, and 30 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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 70686333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).