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

C24H44N6O10 — CID 70686332

IUPAC3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
SMILESCOCCOCCOCCOCCNC(=O)c1nc(N)c(C(=O)NCCOCCOCCOCCOC)nc1N
InChIInChI=1S/C24H44N6O10/c1-33-7-9-37-15-17-39-13-11-35-5-3-27-23(31)19-21(25)30-20(22(26)29-19)24(32)28-4-6-36-12-14-40-18-16-38-10-8-34-2/h3-18H2,1-2H3,(H2,26,29)(H2,25,30)(H,27,31)(H,28,32)
InChIKeyGOMIGACTBAGVGT-UHFFFAOYSA-N
MW576.65 g/mol
LogP-1.51
Rot. Bonds26

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

3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide (PubChem CID 70686332) has the molecular formula C24H44N6O10 and a molecular weight of 576.65 g/mol. Its IUPAC name is 3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide.

Molecular Properties

Compound Name3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
PubChem CID70686332
Molecular FormulaC24H44N6O10
Molecular Weight576.65 g/mol
Exact Mass576.31
IUPAC Name3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
SMILESCOCCOCCOCCOCCNC(=O)c1nc(N)c(C(=O)NCCOCCOCCOCCOC)nc1N
InChIInChI=1S/C24H44N6O10/c1-33-7-9-37-15-17-39-13-11-35-5-3-27-23(31)19-21(25)30-20(22(26)29-19)24(32)28-4-6-36-12-14-40-18-16-38-10-8-34-2/h3-18H2,1-2H3,(H2,26,29)(H2,25,30)(H,27,31)(H,28,32)
InChIKeyGOMIGACTBAGVGT-UHFFFAOYSA-N
XLogP-1.51
TPSA209.86 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.65
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide?
The IUPAC name of 3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide (CID 70686332) is 3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)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-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide?
The canonical SMILES for 3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide is COCCOCCOCCOCCNC(=O)c1nc(N)c(C(=O)NCCOCCOCCOCCOC)nc1N.
What is the InChIKey of 3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide?
The InChIKey is GOMIGACTBAGVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N6O10/c1-33-7-9-37-15-17-39-13-11-35-5-3-27-23(31)19-21(25)30-20(22(26)29-19)24(32)28-4-6-36-12-14-40-18-16-38-10-8-34-2/h3-18H2,1-2H3,(H2,26,29)(H2,25,30)(H,27,31)(H,28,32).
What are the key properties of 3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide?
3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide has a molecular weight of 576.65 g/mol, XLogP of -1.51, 26 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-2-N,5-N-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 70686332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).