N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

C20H20N6O2 — CID 53179579

IUPACN-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
SMILESCCCc1noc(-c2ccc3nnc(CC(=O)Nc4cccc(C)c4)n3c2)n1
InChIInChI=1S/C20H20N6O2/c1-3-5-16-22-20(28-25-16)14-8-9-17-23-24-18(26(17)12-14)11-19(27)21-15-7-4-6-13(2)10-15/h4,6-10,12H,3,5,11H2,1-2H3,(H,21,27)
InChIKeyJYDKSIHJHZPGBT-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.22
Rot. Bonds6

About N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (PubChem CID 53179579) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
PubChem CID53179579
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
SMILESCCCc1noc(-c2ccc3nnc(CC(=O)Nc4cccc(C)c4)n3c2)n1
InChIInChI=1S/C20H20N6O2/c1-3-5-16-22-20(28-25-16)14-8-9-17-23-24-18(26(17)12-14)11-19(27)21-15-7-4-6-13(2)10-15/h4,6-10,12H,3,5,11H2,1-2H3,(H,21,27)
InChIKeyJYDKSIHJHZPGBT-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179580
2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 53179572
5-methyl-N-(3-methylphenyl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178992
N-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53173305
2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53179438
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
N-(3-methylphenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177955
N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide
CID 167828732
4-[3-[2-[methyl-[(3-methylphenyl)carbamoyl]amino]ethyl]-1,2,4-oxadiazol-5-yl]-N-propylbenzamide
CID 50826859
3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133725
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 53137250
N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179489

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (CID 53179579) is N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide is CCCc1noc(-c2ccc3nnc(CC(=O)Nc4cccc(C)c4)n3c2)n1.
What is the InChIKey of N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The InChIKey is JYDKSIHJHZPGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-3-5-16-22-20(28-25-16)14-8-9-17-23-24-18(26(17)12-14)11-19(27)21-15-7-4-6-13(2)10-15/h4,6-10,12H,3,5,11H2,1-2H3,(H,21,27).
What are the key properties of N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 53179579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).