2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

C22H20N4O3 — CID 9021061

IUPAC2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NCc1nnc2ccccn12
InChIInChI=1S/C22H20N4O3/c27-22(23-14-21-25-24-20-8-4-5-13-26(20)21)16-29-19-11-9-18(10-12-19)28-15-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,23,27)
InChIKeyGHOJHXWPEZVHLA-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.00
Rot. Bonds8

About 2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (PubChem CID 9021061) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
PubChem CID9021061
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NCc1nnc2ccccn12
InChIInChI=1S/C22H20N4O3/c27-22(23-14-21-25-24-20-8-4-5-13-26(20)21)16-29-19-11-9-18(10-12-19)28-15-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,23,27)
InChIKeyGHOJHXWPEZVHLA-UHFFFAOYSA-N
XLogP3.00
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021001
2-(2,6-dimethylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 27848457
2-(2-phenylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021053
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 71702040
2-(4-phenylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947550
2-(4-propan-2-ylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947721
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191
3-methyl-2-[(2-phenoxyacetyl)amino]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 78810198
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 39718583
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (CID 9021061) is 2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is O=C(COc1ccc(OCc2ccccc2)cc1)NCc1nnc2ccccn12.
What is the InChIKey of 2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is GHOJHXWPEZVHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-22(23-14-21-25-24-20-8-4-5-13-26(20)21)16-29-19-11-9-18(10-12-19)28-15-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,23,27).
What are the key properties of 2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 9021061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).