5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile

C16H17N5O — CID 133475245

IUPAC5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC(c3noc(C4CC4)n3)CC2)cn1
InChIInChI=1S/C16H17N5O/c17-9-13-3-4-14(10-18-13)21-7-5-11(6-8-21)15-19-16(22-20-15)12-1-2-12/h3-4,10-12H,1-2,5-8H2
InChIKeyNFUOLCPIXFIPJT-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.60
Rot. Bonds3

About 5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile

5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 133475245) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID133475245
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC(c3noc(C4CC4)n3)CC2)cn1
InChIInChI=1S/C16H17N5O/c17-9-13-3-4-14(10-18-13)21-7-5-11(6-8-21)15-19-16(22-20-15)12-1-2-12/h3-4,10-12H,1-2,5-8H2
InChIKeyNFUOLCPIXFIPJT-UHFFFAOYSA-N
XLogP2.60
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile (CID 133475245) is 5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CCC(c3noc(C4CC4)n3)CC2)cn1.
What is the InChIKey of 5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is NFUOLCPIXFIPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-9-13-3-4-14(10-18-13)21-7-5-11(6-8-21)15-19-16(22-20-15)12-1-2-12/h3-4,10-12H,1-2,5-8H2.
What are the key properties of 5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile?
5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133475245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).