2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

C19H19N5O2 — CID 92577770

IUPAC2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccnc1)N1CCC(c2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C19H19N5O2/c25-17(12-14-4-3-8-20-13-14)24-10-6-15(7-11-24)18-22-23-19(26-18)16-5-1-2-9-21-16/h1-5,8-9,13,15H,6-7,10-12H2
InChIKeyLXTBEZJUNKFVBW-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.48
Rot. Bonds4

About 2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 92577770) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID92577770
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccnc1)N1CCC(c2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C19H19N5O2/c25-17(12-14-4-3-8-20-13-14)24-10-6-15(7-11-24)18-22-23-19(26-18)16-5-1-2-9-21-16/h1-5,8-9,13,15H,6-7,10-12H2
InChIKeyLXTBEZJUNKFVBW-UHFFFAOYSA-N
XLogP2.48
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 92577770) is 2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is O=C(Cc1cccnc1)N1CCC(c2nnc(-c3ccccn3)o2)CC1.
What is the InChIKey of 2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is LXTBEZJUNKFVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-17(12-14-4-3-8-20-13-14)24-10-6-15(7-11-24)18-22-23-19(26-18)16-5-1-2-9-21-16/h1-5,8-9,13,15H,6-7,10-12H2.
What are the key properties of 2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 349.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92577770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).