5-(3-oxobutyl)pyrazine-2-carboxamide

C9H11N3O2 — CID 69292472

IUPAC5-(3-oxobutyl)pyrazine-2-carboxamide
SMILESCC(=O)CCc1cnc(C(N)=O)cn1
InChIInChI=1S/C9H11N3O2/c1-6(13)2-3-7-4-12-8(5-11-7)9(10)14/h4-5H,2-3H2,1H3,(H2,10,14)
InChIKeyMWRBJNTWERQKCK-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.10
Rot. Bonds4

About 5-(3-oxobutyl)pyrazine-2-carboxamide

5-(3-oxobutyl)pyrazine-2-carboxamide (PubChem CID 69292472) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-(3-oxobutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-oxobutyl)pyrazine-2-carboxamide
PubChem CID69292472
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-(3-oxobutyl)pyrazine-2-carboxamide
SMILESCC(=O)CCc1cnc(C(N)=O)cn1
InChIInChI=1S/C9H11N3O2/c1-6(13)2-3-7-4-12-8(5-11-7)9(10)14/h4-5H,2-3H2,1H3,(H2,10,14)
InChIKeyMWRBJNTWERQKCK-UHFFFAOYSA-N
XLogP0.10
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-oxobutyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-oxobutyl)pyrazine-2-carboxamide (CID 69292472) is 5-(3-oxobutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-oxobutyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-oxobutyl)pyrazine-2-carboxamide is CC(=O)CCc1cnc(C(N)=O)cn1.
What is the InChIKey of 5-(3-oxobutyl)pyrazine-2-carboxamide?
The InChIKey is MWRBJNTWERQKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6(13)2-3-7-4-12-8(5-11-7)9(10)14/h4-5H,2-3H2,1H3,(H2,10,14).
What are the key properties of 5-(3-oxobutyl)pyrazine-2-carboxamide?
5-(3-oxobutyl)pyrazine-2-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxobutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 69292472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).