3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile

C18H11N7O — CID 59471780

IUPAC3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1-c1cnc(N)c(-c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C18H11N7O/c19-9-13-12(7-4-8-21-13)14-10-22-16(20)15(23-14)18-25-24-17(26-18)11-5-2-1-3-6-11/h1-8,10H,(H2,20,22)
InChIKeyKGQUKTVBCDVNKP-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.71
Rot. Bonds3

About 3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile

3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile (PubChem CID 59471780) has the molecular formula C18H11N7O and a molecular weight of 341.33 g/mol. Its IUPAC name is 3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile
PubChem CID59471780
Molecular FormulaC18H11N7O
Molecular Weight341.33 g/mol
Exact Mass341.10
IUPAC Name3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1-c1cnc(N)c(-c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C18H11N7O/c19-9-13-12(7-4-8-21-13)14-10-22-16(20)15(23-14)18-25-24-17(26-18)11-5-2-1-3-6-11/h1-8,10H,(H2,20,22)
InChIKeyKGQUKTVBCDVNKP-UHFFFAOYSA-N
XLogP2.71
TPSA127.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile (CID 59471780) is 3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile is N#Cc1ncccc1-c1cnc(N)c(-c2nnc(-c3ccccc3)o2)n1.
What is the InChIKey of 3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile?
The InChIKey is KGQUKTVBCDVNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N7O/c19-9-13-12(7-4-8-21-13)14-10-22-16(20)15(23-14)18-25-24-17(26-18)11-5-2-1-3-6-11/h1-8,10H,(H2,20,22).
What are the key properties of 3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile?
3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile has a molecular weight of 341.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 59471780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).