N-(3-acetylphenyl)pyrazine-2-carboxamide

C13H11N3O2 — CID 862105

IUPACN-(3-acetylphenyl)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnccn2)c1
InChIInChI=1S/C13H11N3O2/c1-9(17)10-3-2-4-11(7-10)16-13(18)12-8-14-5-6-15-12/h2-8H,1H3,(H,16,18)
InChIKeyOLFHRFQEFHWUDQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.93
Rot. Bonds3

About N-(3-acetylphenyl)pyrazine-2-carboxamide

N-(3-acetylphenyl)pyrazine-2-carboxamide (PubChem CID 862105) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(3-acetylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)pyrazine-2-carboxamide
PubChem CID862105
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(3-acetylphenyl)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnccn2)c1
InChIInChI=1S/C13H11N3O2/c1-9(17)10-3-2-4-11(7-10)16-13(18)12-8-14-5-6-15-12/h2-8H,1H3,(H,16,18)
InChIKeyOLFHRFQEFHWUDQ-UHFFFAOYSA-N
XLogP1.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)pyrazine-2-carboxamide (CID 862105) is N-(3-acetylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)pyrazine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cnccn2)c1.
What is the InChIKey of N-(3-acetylphenyl)pyrazine-2-carboxamide?
The InChIKey is OLFHRFQEFHWUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-9(17)10-3-2-4-11(7-10)16-13(18)12-8-14-5-6-15-12/h2-8H,1H3,(H,16,18).
What are the key properties of N-(3-acetylphenyl)pyrazine-2-carboxamide?
N-(3-acetylphenyl)pyrazine-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 862105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).