N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide

C18H22N6O2 — CID 91893156

IUPACN-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide
SMILESCCc1noc(-c2cccn3c(CNC(=O)C4CCCCC4)nnc23)n1
InChIInChI=1S/C18H22N6O2/c1-2-14-20-18(26-23-14)13-9-6-10-24-15(21-22-16(13)24)11-19-17(25)12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,19,25)
InChIKeySYEMZYCCFIYVPP-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.54
Rot. Bonds5

About N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide

N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide (PubChem CID 91893156) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide
PubChem CID91893156
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide
SMILESCCc1noc(-c2cccn3c(CNC(=O)C4CCCCC4)nnc23)n1
InChIInChI=1S/C18H22N6O2/c1-2-14-20-18(26-23-14)13-9-6-10-24-15(21-22-16(13)24)11-19-17(25)12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,19,25)
InChIKeySYEMZYCCFIYVPP-UHFFFAOYSA-N
XLogP2.54
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 91631907
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
CID 91909329
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluorobenzamide
CID 91893121
N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclobutanecarboxamide
CID 91893260
N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91892949
4-chloro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893005
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
3,5-dimethyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893142
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
2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide
CID 171146354
N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 91892948
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

Frequently Asked Questions

What is the IUPAC name of N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide (CID 91893156) is N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide is CCc1noc(-c2cccn3c(CNC(=O)C4CCCCC4)nnc23)n1.
What is the InChIKey of N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide?
The InChIKey is SYEMZYCCFIYVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-2-14-20-18(26-23-14)13-9-6-10-24-15(21-22-16(13)24)11-19-17(25)12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,19,25).
What are the key properties of N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide?
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 91893156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).