4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile

C14H11FN6O — CID 134398114

IUPAC4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2nnc([C@@]3(F)CCCN(C#N)C3)o2)ccn1
InChIInChI=1S/C14H11FN6O/c15-14(3-1-5-21(8-14)9-17)13-20-19-12(22-13)10-2-4-18-11(6-10)7-16/h2,4,6H,1,3,5,8H2/t14-/m1/s1
InChIKeyMDHFPHDPIRYJFG-CQSZACIVSA-N
MW298.28 g/mol
LogP1.74
Rot. Bonds2

About 4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile

4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile (PubChem CID 134398114) has the molecular formula C14H11FN6O and a molecular weight of 298.28 g/mol. Its IUPAC name is 4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile
PubChem CID134398114
Molecular FormulaC14H11FN6O
Molecular Weight298.28 g/mol
Exact Mass298.10
IUPAC Name4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2nnc([C@@]3(F)CCCN(C#N)C3)o2)ccn1
InChIInChI=1S/C14H11FN6O/c15-14(3-1-5-21(8-14)9-17)13-20-19-12(22-13)10-2-4-18-11(6-10)7-16/h2,4,6H,1,3,5,8H2/t14-/m1/s1
InChIKeyMDHFPHDPIRYJFG-CQSZACIVSA-N
XLogP1.74
TPSA102.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile (CID 134398114) is 4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile is N#Cc1cc(-c2nnc([C@@]3(F)CCCN(C#N)C3)o2)ccn1.
What is the InChIKey of 4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile?
The InChIKey is MDHFPHDPIRYJFG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H11FN6O/c15-14(3-1-5-21(8-14)9-17)13-20-19-12(22-13)10-2-4-18-11(6-10)7-16/h2,4,6H,1,3,5,8H2/t14-/m1/s1.
What are the key properties of 4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile?
4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile has a molecular weight of 298.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 134398114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).