N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C17H18N4O2S — CID 3669186

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCOc1ccc(CCNC(=O)CSc2nnc3ccccn23)cc1
InChIInChI=1S/C17H18N4O2S/c1-23-14-7-5-13(6-8-14)9-10-18-16(22)12-24-17-20-19-15-4-2-3-11-21(15)17/h2-8,11H,9-10,12H2,1H3,(H,18,22)
InChIKeyOJEVAHZNIFPAKH-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.19
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 3669186) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID3669186
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCOc1ccc(CCNC(=O)CSc2nnc3ccccn23)cc1
InChIInChI=1S/C17H18N4O2S/c1-23-14-7-5-13(6-8-14)9-10-18-16(22)12-24-17-20-19-15-4-2-3-11-21(15)17/h2-8,11H,9-10,12H2,1H3,(H,18,22)
InChIKeyOJEVAHZNIFPAKH-UHFFFAOYSA-N
XLogP2.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 3669186) is N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is COc1ccc(CCNC(=O)CSc2nnc3ccccn23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is OJEVAHZNIFPAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-23-14-7-5-13(6-8-14)9-10-18-16(22)12-24-17-20-19-15-4-2-3-11-21(15)17/h2-8,11H,9-10,12H2,1H3,(H,18,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 3669186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).