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

C20H24N6O2 — CID 53179370

IUPACN-cycloheptyl-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)NC1CCCCCC1
InChIInChI=1S/C20H24N6O2/c27-17(21-14-6-3-1-2-4-7-14)12-16-23-24-19-15(8-5-11-26(16)19)20-22-18(25-28-20)13-9-10-13/h5,8,11,13-14H,1-4,6-7,9-10,12H2,(H,21,27)
InChIKeyWJYPALYXXVEXJE-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.04
Rot. Bonds5

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

N-cycloheptyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (PubChem CID 53179370) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-cycloheptyl-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-cycloheptyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
PubChem CID53179370
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-cycloheptyl-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)NC1CCCCCC1
InChIInChI=1S/C20H24N6O2/c27-17(21-14-6-3-1-2-4-7-14)12-16-23-24-19-15(8-5-11-26(16)19)20-22-18(25-28-20)13-9-10-13/h5,8,11,13-14H,1-4,6-7,9-10,12H2,(H,21,27)
InChIKeyWJYPALYXXVEXJE-UHFFFAOYSA-N
XLogP3.04
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
CID 97032640
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
2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide
CID 53179367
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylpropanamide
CID 91893007
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide
CID 91893026
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 91893033
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide
CID 91893036
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methoxy-2-methylbenzamide
CID 91893008
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide
CID 91893156
N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 53178928
N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179442

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-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-cycloheptyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (CID 53179370) is N-cycloheptyl-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-cycloheptyl-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-cycloheptyl-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)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The InChIKey is WJYPALYXXVEXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-17(21-14-6-3-1-2-4-7-14)12-16-23-24-19-15(8-5-11-26(16)19)20-22-18(25-28-20)13-9-10-13/h5,8,11,13-14H,1-4,6-7,9-10,12H2,(H,21,27).
What are the key properties of N-cycloheptyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
N-cycloheptyl-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 380.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-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 53179370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).