N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

C18H20N6O2 — CID 53179368

IUPACN-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
SMILESO=C(Cc1nnc2c(-c3nc(C4CC4)no3)cccn12)NC1CCCC1
InChIInChI=1S/C18H20N6O2/c25-15(19-12-4-1-2-5-12)10-14-21-22-17-13(6-3-9-24(14)17)18-20-16(23-26-18)11-7-8-11/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H,19,25)
InChIKeyLJSDBUGOEUNEEK-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.26
Rot. Bonds5

About N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (PubChem CID 53179368) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
PubChem CID53179368
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
SMILESO=C(Cc1nnc2c(-c3nc(C4CC4)no3)cccn12)NC1CCCC1
InChIInChI=1S/C18H20N6O2/c25-15(19-12-4-1-2-5-12)10-14-21-22-17-13(6-3-9-24(14)17)18-20-16(23-26-18)11-7-8-11/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H,19,25)
InChIKeyLJSDBUGOEUNEEK-UHFFFAOYSA-N
XLogP2.26
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (CID 53179368) is N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide is O=C(Cc1nnc2c(-c3nc(C4CC4)no3)cccn12)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The InChIKey is LJSDBUGOEUNEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-15(19-12-4-1-2-5-12)10-14-21-22-17-13(6-3-9-24(14)17)18-20-16(23-26-18)11-7-8-11/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H,19,25).
What are the key properties of N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide has a molecular weight of 352.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 53179368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).