2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide

C16H16N4O2 — CID 53166292

IUPAC2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cccn3c(C)nnc23)c1
InChIInChI=1S/C16H16N4O2/c1-11-18-19-16-14(7-4-8-20(11)16)17-15(21)10-12-5-3-6-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyOMQXUJRPFYBJET-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.23
Rot. Bonds4

About 2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide

2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide (PubChem CID 53166292) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide
PubChem CID53166292
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cccn3c(C)nnc23)c1
InChIInChI=1S/C16H16N4O2/c1-11-18-19-16-14(7-4-8-20(11)16)17-15(21)10-12-5-3-6-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyOMQXUJRPFYBJET-UHFFFAOYSA-N
XLogP2.23
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide (CID 53166292) is 2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide is COc1cccc(CC(=O)Nc2cccn3c(C)nnc23)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide?
The InChIKey is OMQXUJRPFYBJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-18-19-16-14(7-4-8-20(11)16)17-15(21)10-12-5-3-6-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of 2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide?
2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide is sourced from PubChem (CID 53166292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).