3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide

C14H24N6O4 — CID 58462499

IUPAC3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide
SMILESCOCCCNc1nc(C(N)=O)c(NCCCOC)nc1C(N)=O
InChIInChI=1S/C14H24N6O4/c1-23-7-3-5-17-13-9(11(15)21)20-14(10(19-13)12(16)22)18-6-4-8-24-2/h3-8H2,1-2H3,(H2,15,21)(H2,16,22)(H,17,19)(H,18,20)
InChIKeyPVWAMTNUZLFXLT-UHFFFAOYSA-N
MW340.38 g/mol
LogP-0.43
Rot. Bonds12

About 3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide

3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide (PubChem CID 58462499) has the molecular formula C14H24N6O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide.

Molecular Properties

Compound Name3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide
PubChem CID58462499
Molecular FormulaC14H24N6O4
Molecular Weight340.38 g/mol
Exact Mass340.19
IUPAC Name3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide
SMILESCOCCCNc1nc(C(N)=O)c(NCCCOC)nc1C(N)=O
InChIInChI=1S/C14H24N6O4/c1-23-7-3-5-17-13-9(11(15)21)20-14(10(19-13)12(16)22)18-6-4-8-24-2/h3-8H2,1-2H3,(H2,15,21)(H2,16,22)(H,17,19)(H,18,20)
InChIKeyPVWAMTNUZLFXLT-UHFFFAOYSA-N
XLogP-0.43
TPSA154.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide
CID 58462486
5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide;5-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide
CID 159787038
5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide
CID 114406169
5-amino-6-(5-methoxypentylamino)pyridine-2-carboxamide
CID 114131934
3-[2-(2-methoxyethylamino)ethylamino]pyrazine-2-carboxamide
CID 83039830
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
3-methoxypropylurea
CID 2064040
5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide
CID 114407848
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
6-chloro-N-(3-methoxypropyl)-4,5-dimethylpyridazin-3-amine
CID 63271760
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19144248

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide?
The IUPAC name of 3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide (CID 58462499) is 3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide.
What is the SMILES notation for 3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide?
The canonical SMILES for 3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide is COCCCNc1nc(C(N)=O)c(NCCCOC)nc1C(N)=O.
What is the InChIKey of 3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide?
The InChIKey is PVWAMTNUZLFXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O4/c1-23-7-3-5-17-13-9(11(15)21)20-14(10(19-13)12(16)22)18-6-4-8-24-2/h3-8H2,1-2H3,(H2,15,21)(H2,16,22)(H,17,19)(H,18,20).
What are the key properties of 3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide?
3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide has a molecular weight of 340.38 g/mol, XLogP of -0.43, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 58462499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).