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

C20H20N6O2 — CID 91892997

IUPAC4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCCCc1noc(-c2cccn3c(CNC(=O)c4ccc(C)cc4)nnc23)n1
InChIInChI=1S/C20H20N6O2/c1-3-5-16-22-20(28-25-16)15-6-4-11-26-17(23-24-18(15)26)12-21-19(27)14-9-7-13(2)8-10-14/h4,6-11H,3,5,12H2,1-2H3,(H,21,27)
InChIKeyQWWDZLCVMLACBV-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.97
Rot. Bonds6

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

4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 91892997) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID91892997
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCCCc1noc(-c2cccn3c(CNC(=O)c4ccc(C)cc4)nnc23)n1
InChIInChI=1S/C20H20N6O2/c1-3-5-16-22-20(28-25-16)15-6-4-11-26-17(23-24-18(15)26)12-21-19(27)14-9-7-13(2)8-10-14/h4,6-11H,3,5,12H2,1-2H3,(H,21,27)
InChIKeyQWWDZLCVMLACBV-UHFFFAOYSA-N
XLogP2.97
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of 4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 91892997) is 4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for 4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is CCCc1noc(-c2cccn3c(CNC(=O)c4ccc(C)cc4)nnc23)n1.
What is the InChIKey of 4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is QWWDZLCVMLACBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-3-5-16-22-20(28-25-16)15-6-4-11-26-17(23-24-18(15)26)12-21-19(27)14-9-7-13(2)8-10-14/h4,6-11H,3,5,12H2,1-2H3,(H,21,27).
What are the key properties of 4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 91892997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).