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

C14H15N5O — CID 86782075

IUPAC5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1noc(C2CCN(c3ccc(C#N)nc3)CC2)n1
InChIInChI=1S/C14H15N5O/c1-10-17-14(20-18-10)11-4-6-19(7-5-11)13-3-2-12(8-15)16-9-13/h2-3,9,11H,4-7H2,1H3
InChIKeyKDRFISLQVLMUDT-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.03
Rot. Bonds2

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

5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 86782075) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID86782075
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1noc(C2CCN(c3ccc(C#N)nc3)CC2)n1
InChIInChI=1S/C14H15N5O/c1-10-17-14(20-18-10)11-4-6-19(7-5-11)13-3-2-12(8-15)16-9-13/h2-3,9,11H,4-7H2,1H3
InChIKeyKDRFISLQVLMUDT-UHFFFAOYSA-N
XLogP2.03
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile (CID 86782075) is 5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile is Cc1noc(C2CCN(c3ccc(C#N)nc3)CC2)n1.
What is the InChIKey of 5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is KDRFISLQVLMUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-17-14(20-18-10)11-4-6-19(7-5-11)13-3-2-12(8-15)16-9-13/h2-3,9,11H,4-7H2,1H3.
What are the key properties of 5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile?
5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 269.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 86782075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).