6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile

C13H13N5O2 — CID 124841776

IUPAC6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC[C@H](c3n[nH]c(=O)o3)C2)nc1
InChIInChI=1S/C13H13N5O2/c14-6-9-3-4-11(15-7-9)18-5-1-2-10(8-18)12-16-17-13(19)20-12/h3-4,7,10H,1-2,5,8H2,(H,17,19)/t10-/m0/s1
InChIKeyBCLFNJORSXYFMM-JTQLQIEISA-N
MW271.28 g/mol
LogP1.01
Rot. Bonds2

About 6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile

6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 124841776) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID124841776
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC[C@H](c3n[nH]c(=O)o3)C2)nc1
InChIInChI=1S/C13H13N5O2/c14-6-9-3-4-11(15-7-9)18-5-1-2-10(8-18)12-16-17-13(19)20-12/h3-4,7,10H,1-2,5,8H2,(H,17,19)/t10-/m0/s1
InChIKeyBCLFNJORSXYFMM-JTQLQIEISA-N
XLogP1.01
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 124841776) is 6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC[C@H](c3n[nH]c(=O)o3)C2)nc1.
What is the InChIKey of 6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is BCLFNJORSXYFMM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13N5O2/c14-6-9-3-4-11(15-7-9)18-5-1-2-10(8-18)12-16-17-13(19)20-12/h3-4,7,10H,1-2,5,8H2,(H,17,19)/t10-/m0/s1.
What are the key properties of 6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 271.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 124841776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).