2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C18H20N4O2 — CID 7711146

IUPAC2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)N[C@@H](C)c2nnc3ccccn23)cc1C
InChIInChI=1S/C18H20N4O2/c1-12-7-8-15(10-13(12)2)24-11-17(23)19-14(3)18-21-20-16-6-4-5-9-22(16)18/h4-10,14H,11H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyXYPCUOBTCINTRY-AWEZNQCLSA-N
MW324.38 g/mol
LogP2.60
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 7711146) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID7711146
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)N[C@@H](C)c2nnc3ccccn23)cc1C
InChIInChI=1S/C18H20N4O2/c1-12-7-8-15(10-13(12)2)24-11-17(23)19-14(3)18-21-20-16-6-4-5-9-22(16)18/h4-10,14H,11H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyXYPCUOBTCINTRY-AWEZNQCLSA-N
XLogP2.60
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 7711146) is 2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is Cc1ccc(OCC(=O)N[C@@H](C)c2nnc3ccccn23)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is XYPCUOBTCINTRY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-7-8-15(10-13(12)2)24-11-17(23)19-14(3)18-21-20-16-6-4-5-9-22(16)18/h4-10,14H,11H2,1-3H3,(H,19,23)/t14-/m0/s1.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 7711146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).