5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide

C13H12N6O2 — CID 102703287

IUPAC5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2nnc(C3CCCN3)o2)nc1
InChIInChI=1S/C13H12N6O2/c14-6-8-3-4-9(16-7-8)11(20)17-13-19-18-12(21-13)10-2-1-5-15-10/h3-4,7,10,15H,1-2,5H2,(H,17,19,20)
InChIKeyCILIEBNHTKQHPQ-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.01
Rot. Bonds3

About 5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide

5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide (PubChem CID 102703287) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
PubChem CID102703287
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2nnc(C3CCCN3)o2)nc1
InChIInChI=1S/C13H12N6O2/c14-6-8-3-4-9(16-7-8)11(20)17-13-19-18-12(21-13)10-2-1-5-15-10/h3-4,7,10,15H,1-2,5H2,(H,17,19,20)
InChIKeyCILIEBNHTKQHPQ-UHFFFAOYSA-N
XLogP1.01
TPSA116.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide (CID 102703287) is 5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2nnc(C3CCCN3)o2)nc1.
What is the InChIKey of 5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is CILIEBNHTKQHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c14-6-8-3-4-9(16-7-8)11(20)17-13-19-18-12(21-13)10-2-1-5-15-10/h3-4,7,10,15H,1-2,5H2,(H,17,19,20).
What are the key properties of 5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide?
5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 102703287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).