4-(3-cyanopyrazin-2-yl)oxybenzamide

C12H8N4O2 — CID 62683866

IUPAC4-(3-cyanopyrazin-2-yl)oxybenzamide
SMILESN#Cc1nccnc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H8N4O2/c13-7-10-12(16-6-5-15-10)18-9-3-1-8(2-4-9)11(14)17/h1-6H,(H2,14,17)
InChIKeyCAHHEWFMXAJEFF-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.24
Rot. Bonds3

About 4-(3-cyanopyrazin-2-yl)oxybenzamide

4-(3-cyanopyrazin-2-yl)oxybenzamide (PubChem CID 62683866) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-(3-cyanopyrazin-2-yl)oxybenzamide.

Molecular Properties

Compound Name4-(3-cyanopyrazin-2-yl)oxybenzamide
PubChem CID62683866
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name4-(3-cyanopyrazin-2-yl)oxybenzamide
SMILESN#Cc1nccnc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H8N4O2/c13-7-10-12(16-6-5-15-10)18-9-3-1-8(2-4-9)11(14)17/h1-6H,(H2,14,17)
InChIKeyCAHHEWFMXAJEFF-UHFFFAOYSA-N
XLogP1.24
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanopyrazin-2-yl)oxybenzamide?
The IUPAC name of 4-(3-cyanopyrazin-2-yl)oxybenzamide (CID 62683866) is 4-(3-cyanopyrazin-2-yl)oxybenzamide.
What is the SMILES notation for 4-(3-cyanopyrazin-2-yl)oxybenzamide?
The canonical SMILES for 4-(3-cyanopyrazin-2-yl)oxybenzamide is N#Cc1nccnc1Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(3-cyanopyrazin-2-yl)oxybenzamide?
The InChIKey is CAHHEWFMXAJEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c13-7-10-12(16-6-5-15-10)18-9-3-1-8(2-4-9)11(14)17/h1-6H,(H2,14,17).
What are the key properties of 4-(3-cyanopyrazin-2-yl)oxybenzamide?
4-(3-cyanopyrazin-2-yl)oxybenzamide has a molecular weight of 240.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanopyrazin-2-yl)oxybenzamide is sourced from PubChem (CID 62683866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).