5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide

C10H17N3O2 — CID 123592631

IUPAC5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide
SMILESCCC(C)C1=CNC(=O)C(C(N)=O)N1C
InChIInChI=1S/C10H17N3O2/c1-4-6(2)7-5-12-10(15)8(9(11)14)13(7)3/h5-6,8H,4H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyXXQLTOSJJYEKRG-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.21
Rot. Bonds3

About 5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide

5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide (PubChem CID 123592631) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide.

Molecular Properties

Compound Name5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide
PubChem CID123592631
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide
SMILESCCC(C)C1=CNC(=O)C(C(N)=O)N1C
InChIInChI=1S/C10H17N3O2/c1-4-6(2)7-5-12-10(15)8(9(11)14)13(7)3/h5-6,8H,4H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyXXQLTOSJJYEKRG-UHFFFAOYSA-N
XLogP-0.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide?
The IUPAC name of 5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide (CID 123592631) is 5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide.
What is the SMILES notation for 5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide?
The canonical SMILES for 5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide is CCC(C)C1=CNC(=O)C(C(N)=O)N1C.
What is the InChIKey of 5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide?
The InChIKey is XXQLTOSJJYEKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-6(2)7-5-12-10(15)8(9(11)14)13(7)3/h5-6,8H,4H2,1-3H3,(H2,11,14)(H,12,15).
What are the key properties of 5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide?
5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide has a molecular weight of 211.26 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide is sourced from PubChem (CID 123592631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).