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

C20H20N6O2 — CID 91893154

IUPACN-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,5-dimethylbenzamide
SMILESCCc1noc(-c2cccn3c(CNC(=O)c4cc(C)ccc4C)nnc23)n1
InChIInChI=1S/C20H20N6O2/c1-4-16-22-20(28-25-16)14-6-5-9-26-17(23-24-18(14)26)11-21-19(27)15-10-12(2)7-8-13(15)3/h5-10H,4,11H2,1-3H3,(H,21,27)
InChIKeyAXONTQBXFAZVTA-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.89
Rot. Bonds5

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

N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,5-dimethylbenzamide (PubChem CID 91893154) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 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]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,5-dimethylbenzamide
PubChem CID91893154
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,5-dimethylbenzamide
SMILESCCc1noc(-c2cccn3c(CNC(=O)c4cc(C)ccc4C)nnc23)n1
InChIInChI=1S/C20H20N6O2/c1-4-16-22-20(28-25-16)14-6-5-9-26-17(23-24-18(14)26)11-21-19(27)15-10-12(2)7-8-13(15)3/h5-10H,4,11H2,1-3H3,(H,21,27)
InChIKeyAXONTQBXFAZVTA-UHFFFAOYSA-N
XLogP2.89
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-2,5-dimethylbenzamide?
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]-2,5-dimethylbenzamide (CID 91893154) is N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,5-dimethylbenzamide.
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]-2,5-dimethylbenzamide?
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]-2,5-dimethylbenzamide is CCc1noc(-c2cccn3c(CNC(=O)c4cc(C)ccc4C)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]-2,5-dimethylbenzamide?
The InChIKey is AXONTQBXFAZVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-4-16-22-20(28-25-16)14-6-5-9-26-17(23-24-18(14)26)11-21-19(27)15-10-12(2)7-8-13(15)3/h5-10H,4,11H2,1-3H3,(H,21,27).
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]-2,5-dimethylbenzamide?
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,5-dimethylbenzamide has a molecular weight of 376.42 g/mol, XLogP of 2.89, 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]-2,5-dimethylbenzamide is sourced from PubChem (CID 91893154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).