N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide

C21H22N4O3 — CID 91889149

IUPACN-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1cccc(-c2nnc3n2CCCC3)c1
InChIInChI=1S/C21H22N4O3/c1-27-18-10-3-2-9-17(18)22-20(26)14-28-16-8-6-7-15(13-16)21-24-23-19-11-4-5-12-25(19)21/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,22,26)
InChIKeyVGZQUPSGYBBHOF-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.31
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide

N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide (PubChem CID 91889149) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
PubChem CID91889149
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1cccc(-c2nnc3n2CCCC3)c1
InChIInChI=1S/C21H22N4O3/c1-27-18-10-3-2-9-17(18)22-20(26)14-28-16-8-6-7-15(13-16)21-24-23-19-11-4-5-12-25(19)21/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,22,26)
InChIKeyVGZQUPSGYBBHOF-UHFFFAOYSA-N
XLogP3.31
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide (CID 91889149) is N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide is COc1ccccc1NC(=O)COc1cccc(-c2nnc3n2CCCC3)c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The InChIKey is VGZQUPSGYBBHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-18-10-3-2-9-17(18)22-20(26)14-28-16-8-6-7-15(13-16)21-24-23-19-11-4-5-12-25(19)21/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,22,26).
What are the key properties of N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide has a molecular weight of 378.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide is sourced from PubChem (CID 91889149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).