N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide

C15H13ClN4O2 — CID 9355707

IUPACN-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
SMILESCc1ccc(NC(=O)COc2nnc3ccccn23)c(Cl)c1
InChIInChI=1S/C15H13ClN4O2/c1-10-5-6-12(11(16)8-10)17-14(21)9-22-15-19-18-13-4-2-3-7-20(13)15/h2-8H,9H2,1H3,(H,17,21)
InChIKeyYGLTVMOUGUQXFG-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.71
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide

N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide (PubChem CID 9355707) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
PubChem CID9355707
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC NameN-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
SMILESCc1ccc(NC(=O)COc2nnc3ccccn23)c(Cl)c1
InChIInChI=1S/C15H13ClN4O2/c1-10-5-6-12(11(16)8-10)17-14(21)9-22-15-19-18-13-4-2-3-7-20(13)15/h2-8H,9H2,1H3,(H,17,21)
InChIKeyYGLTVMOUGUQXFG-UHFFFAOYSA-N
XLogP2.71
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355719
N-(2,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355806
methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate
CID 9355779
N-(2,5-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355729
N-(2-chloro-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 7926753
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 75376256
N-(2-chloro-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 18075657
N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893677
N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
CID 9354792
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2507011
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide (CID 9355707) is N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide is Cc1ccc(NC(=O)COc2nnc3ccccn23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The InChIKey is YGLTVMOUGUQXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-10-5-6-12(11(16)8-10)17-14(21)9-22-15-19-18-13-4-2-3-7-20(13)15/h2-8H,9H2,1H3,(H,17,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide has a molecular weight of 316.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide is sourced from PubChem (CID 9355707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).