3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide

C18H32N6O6 — CID 58462516

IUPAC3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide
SMILESCOCCOCCCNc1nc(C(N)=O)c(NCCCOCCOC)nc1C(N)=O
InChIInChI=1S/C18H32N6O6/c1-27-9-11-29-7-3-5-21-17-13(15(19)25)24-18(14(23-17)16(20)26)22-6-4-8-30-12-10-28-2/h3-12H2,1-2H3,(H2,19,25)(H2,20,26)(H,21,23)(H,22,24)
InChIKeyDUZXUWFZGASKJY-UHFFFAOYSA-N
MW428.49 g/mol
LogP-0.40
Rot. Bonds18

About 3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide

3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide (PubChem CID 58462516) has the molecular formula C18H32N6O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide.

Molecular Properties

Compound Name3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide
PubChem CID58462516
Molecular FormulaC18H32N6O6
Molecular Weight428.49 g/mol
Exact Mass428.24
IUPAC Name3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide
SMILESCOCCOCCCNc1nc(C(N)=O)c(NCCCOCCOC)nc1C(N)=O
InChIInChI=1S/C18H32N6O6/c1-27-9-11-29-7-3-5-21-17-13(15(19)25)24-18(14(23-17)16(20)26)22-6-4-8-30-12-10-28-2/h3-12H2,1-2H3,(H2,19,25)(H2,20,26)(H,21,23)(H,22,24)
InChIKeyDUZXUWFZGASKJY-UHFFFAOYSA-N
XLogP-0.40
TPSA172.94 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide?
The IUPAC name of 3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide (CID 58462516) is 3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide.
What is the SMILES notation for 3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide?
The canonical SMILES for 3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide is COCCOCCCNc1nc(C(N)=O)c(NCCCOCCOC)nc1C(N)=O.
What is the InChIKey of 3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide?
The InChIKey is DUZXUWFZGASKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O6/c1-27-9-11-29-7-3-5-21-17-13(15(19)25)24-18(14(23-17)16(20)26)22-6-4-8-30-12-10-28-2/h3-12H2,1-2H3,(H2,19,25)(H2,20,26)(H,21,23)(H,22,24).
What are the key properties of 3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide?
3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide has a molecular weight of 428.49 g/mol, XLogP of -0.40, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 58462516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).