2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide

C21H22N4O3 — CID 126767732

IUPAC2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide
SMILESO=C(COc1ccccc1OCc1ccccc1)NC1CCc2ncnn2C1
InChIInChI=1S/C21H22N4O3/c26-21(24-17-10-11-20-22-15-23-25(20)12-17)14-28-19-9-5-4-8-18(19)27-13-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H,24,26)
InChIKeyADKUBABJPXHCMF-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.37
Rot. Bonds7

About 2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide

2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide (PubChem CID 126767732) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide
PubChem CID126767732
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide
SMILESO=C(COc1ccccc1OCc1ccccc1)NC1CCc2ncnn2C1
InChIInChI=1S/C21H22N4O3/c26-21(24-17-10-11-20-22-15-23-25(20)12-17)14-28-19-9-5-4-8-18(19)27-13-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H,24,26)
InChIKeyADKUBABJPXHCMF-UHFFFAOYSA-N
XLogP2.37
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide
CID 95291986
cis-(1S,3R)-3-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675144
1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124559557
2-(2-cyanophenoxy)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138707
1-(2,2-difluoro-1-phenylethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 127265980
1-(2-fluoro-6-methoxyphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 119034653
1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126788269
N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-phenylmethoxyacetamide
CID 95765808
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127514
1-[2-methyl-3-(propan-2-yloxymethyl)phenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99632749
1-(5-methyl-2-pyridinyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804769

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide?
The IUPAC name of 2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide (CID 126767732) is 2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide?
The canonical SMILES for 2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide is O=C(COc1ccccc1OCc1ccccc1)NC1CCc2ncnn2C1.
What is the InChIKey of 2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide?
The InChIKey is ADKUBABJPXHCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-21(24-17-10-11-20-22-15-23-25(20)12-17)14-28-19-9-5-4-8-18(19)27-13-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H,24,26).
What are the key properties of 2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide?
2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide is sourced from PubChem (CID 126767732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).