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

C20H19FN4O2 — CID 91889015

IUPAC2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccc(-c2nnc3n2CCCC3)cc1
InChIInChI=1S/C20H19FN4O2/c21-15-6-10-17(11-7-15)27-13-19(26)22-16-8-4-14(5-9-16)20-24-23-18-3-1-2-12-25(18)20/h4-11H,1-3,12-13H2,(H,22,26)
InChIKeyYIHYALOKEPXVOI-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.44
Rot. Bonds5

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

2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 91889015) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
PubChem CID91889015
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccc(-c2nnc3n2CCCC3)cc1
InChIInChI=1S/C20H19FN4O2/c21-15-6-10-17(11-7-15)27-13-19(26)22-16-8-4-14(5-9-16)20-24-23-18-3-1-2-12-25(18)20/h4-11H,1-3,12-13H2,(H,22,26)
InChIKeyYIHYALOKEPXVOI-UHFFFAOYSA-N
XLogP3.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide (CID 91889015) is 2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide is O=C(COc1ccc(F)cc1)Nc1ccc(-c2nnc3n2CCCC3)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
The InChIKey is YIHYALOKEPXVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-15-6-10-17(11-7-15)27-13-19(26)22-16-8-4-14(5-9-16)20-24-23-18-3-1-2-12-25(18)20/h4-11H,1-3,12-13H2,(H,22,26).
What are the key properties of 2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide has a molecular weight of 366.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 91889015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).