3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide (PubChem CID 70688451) has the molecular formula C40H76N6O18 and a molecular weight of 929.07 g/mol. Its IUPAC name is 3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
PubChem CID	70688451
Molecular Formula	C40H76N6O18
Molecular Weight	929.07 g/mol
Exact Mass	928.52
IUPAC Name	3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
SMILES	COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1nc(N)c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOC)nc1N
InChI	InChI=1S/C40H76N6O18/c1-49-7-9-53-15-17-57-23-25-61-31-33-63-29-27-59-21-19-55-13-11-51-5-3-43-39(47)35-37(41)46-36(38(42)45-35)40(48)44-4-6-52-12-14-56-20-22-60-28-30-64-34-32-62-26-24-58-18-16-54-10-8-50-2/h3-34H2,1-2H3,(H2,42,45)(H2,41,46)(H,43,47)(H,44,48)
InChIKey	UTJWGAMGOGCGNF-UHFFFAOYSA-N
XLogP	-1.37
TPSA	283.70 Å²
H-Bond Donors	4
H-Bond Acceptors	22
Rotatable Bonds	50
Heavy Atoms	64
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.07
LogP ≤ 5	-1.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

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-methoxyethoxy)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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide (CID 70688451) is 3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide is COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1nc(N)c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOC)nc1N.

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

The InChIKey is UTJWGAMGOGCGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H76N6O18/c1-49-7-9-53-15-17-57-23-25-61-31-33-63-29-27-59-21-19-55-13-11-51-5-3-43-39(47)35-37(41)46-36(38(42)45-35)40(48)44-4-6-52-12-14-56-20-22-60-28-30-64-34-32-62-26-24-58-18-16-54-10-8-50-2/h3-34H2,1-2H3,(H2,42,45)(H2,41,46)(H,43,47)(H,44,48).

What are the key properties of 3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide has a molecular weight of 929.07 g/mol, XLogP of -1.37, 50 rotatable bonds, 4 hydrogen bond donors, and 22 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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 70688451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).