N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

C19H22N6O2 — CID 53179452

IUPACN-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
SMILESO=C(Cc1nnc2cc(-c3nc(C4CC4)no3)ccn12)NC1CCCCC1
InChIInChI=1S/C19H22N6O2/c26-17(20-14-4-2-1-3-5-14)11-16-23-22-15-10-13(8-9-25(15)16)19-21-18(24-27-19)12-6-7-12/h8-10,12,14H,1-7,11H2,(H,20,26)
InChIKeyNPSKEDRDPCQCGX-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.65
Rot. Bonds5

About N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (PubChem CID 53179452) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
PubChem CID53179452
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
SMILESO=C(Cc1nnc2cc(-c3nc(C4CC4)no3)ccn12)NC1CCCCC1
InChIInChI=1S/C19H22N6O2/c26-17(20-14-4-2-1-3-5-14)11-16-23-22-15-10-13(8-9-25(15)16)19-21-18(24-27-19)12-6-7-12/h8-10,12,14H,1-7,11H2,(H,20,26)
InChIKeyNPSKEDRDPCQCGX-UHFFFAOYSA-N
XLogP2.65
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (CID 53179452) is N-cyclohexyl-2-[7-(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-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide is O=C(Cc1nnc2cc(-c3nc(C4CC4)no3)ccn12)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The InChIKey is NPSKEDRDPCQCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-17(20-14-4-2-1-3-5-14)11-16-23-22-15-10-13(8-9-25(15)16)19-21-18(24-27-19)12-6-7-12/h8-10,12,14H,1-7,11H2,(H,20,26).
What are the key properties of N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide has a molecular weight of 366.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 53179452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).