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

C19H14FN7O — CID 134397991

IUPAC4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cc(-c3nnc([C@@]4(F)CCCN(C#N)C4)o3)ccn2)ccn1
InChIInChI=1S/C19H14FN7O/c20-19(4-1-7-27(11-19)12-22)18-26-25-17(28-18)14-3-6-24-16(9-14)13-2-5-23-15(8-13)10-21/h2-3,5-6,8-9H,1,4,7,11H2/t19-/m1/s1
InChIKeyBJAIDFQUKYOIGM-LJQANCHMSA-N
MW375.37 g/mol
LogP2.81
Rot. Bonds3

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

4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile (PubChem CID 134397991) has the molecular formula C19H14FN7O and a molecular weight of 375.37 g/mol. Its IUPAC name is 4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile
PubChem CID134397991
Molecular FormulaC19H14FN7O
Molecular Weight375.37 g/mol
Exact Mass375.12
IUPAC Name4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cc(-c3nnc([C@@]4(F)CCCN(C#N)C4)o3)ccn2)ccn1
InChIInChI=1S/C19H14FN7O/c20-19(4-1-7-27(11-19)12-22)18-26-25-17(28-18)14-3-6-24-16(9-14)13-2-5-23-15(8-13)10-21/h2-3,5-6,8-9H,1,4,7,11H2/t19-/m1/s1
InChIKeyBJAIDFQUKYOIGM-LJQANCHMSA-N
XLogP2.81
TPSA115.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile (CID 134397991) is 4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile is N#Cc1cc(-c2cc(-c3nnc([C@@]4(F)CCCN(C#N)C4)o3)ccn2)ccn1.
What is the InChIKey of 4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile?
The InChIKey is BJAIDFQUKYOIGM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H14FN7O/c20-19(4-1-7-27(11-19)12-22)18-26-25-17(28-18)14-3-6-24-16(9-14)13-2-5-23-15(8-13)10-21/h2-3,5-6,8-9H,1,4,7,11H2/t19-/m1/s1.
What are the key properties of 4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile?
4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 375.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[(3R)-1-cyano-3-fluoropiperidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 134397991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).