3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide

About 3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide

3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide (PubChem CID 157121083) has the molecular formula C25H47N7O8 and a molecular weight of 573.69 g/mol. Its IUPAC name is 3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name	3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide
PubChem CID	157121083
Molecular Formula	C25H47N7O8
Molecular Weight	573.69 g/mol
Exact Mass	573.35
IUPAC Name	3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide
SMILES	NCCCOCCOCCOCCCC(=O)c1nc(N)c(C(=O)NCCOCCOCCOCCCN)nc1N
InChI	InChI=1S/C25H47N7O8/c26-5-2-9-36-13-17-39-16-12-35-8-1-4-20(33)21-23(28)32-22(24(29)31-21)25(34)30-7-11-38-15-19-40-18-14-37-10-3-6-27/h1-19,26-27H2,(H2,28,32)(H2,29,31)(H,30,34)
InChIKey	QSJWISPFIABUDP-UHFFFAOYSA-N
XLogP	-0.87
TPSA	231.41 Å²
H-Bond Donors	5
H-Bond Acceptors	14
Rotatable Bonds	27
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.69
LogP ≤ 5	-0.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

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-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide?

The IUPAC name of 3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide (CID 157121083) is 3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide.

What is the SMILES notation for 3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide?

The canonical SMILES for 3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide is NCCCOCCOCCOCCCC(=O)c1nc(N)c(C(=O)NCCOCCOCCOCCCN)nc1N.

What is the InChIKey of 3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide?

The InChIKey is QSJWISPFIABUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N7O8/c26-5-2-9-36-13-17-39-16-12-35-8-1-4-20(33)21-23(28)32-22(24(29)31-21)25(34)30-7-11-38-15-19-40-18-14-37-10-3-6-27/h1-19,26-27H2,(H2,28,32)(H2,29,31)(H,30,34).

What are the key properties of 3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide?

3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide has a molecular weight of 573.69 g/mol, XLogP of -0.87, 27 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-diamino-5-[4-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 157121083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).