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

C20H19FN4O2 — CID 91889134

IUPACN-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-c2nnc3n2CCCC3)cc1)Nc1cccc(F)c1
InChIInChI=1S/C20H19FN4O2/c21-15-4-3-5-16(12-15)22-19(26)13-27-17-9-7-14(8-10-17)20-24-23-18-6-1-2-11-25(18)20/h3-5,7-10,12H,1-2,6,11,13H2,(H,22,26)
InChIKeyAFXJHZDXYUSYCS-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.44
Rot. Bonds5

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

N-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide (PubChem CID 91889134) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
PubChem CID91889134
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-c2nnc3n2CCCC3)cc1)Nc1cccc(F)c1
InChIInChI=1S/C20H19FN4O2/c21-15-4-3-5-16(12-15)22-19(26)13-27-17-9-7-14(8-10-17)20-24-23-18-6-1-2-11-25(18)20/h3-5,7-10,12H,1-2,6,11,13H2,(H,22,26)
InChIKeyAFXJHZDXYUSYCS-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 N-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide (CID 91889134) is N-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide is O=C(COc1ccc(-c2nnc3n2CCCC3)cc1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The InChIKey is AFXJHZDXYUSYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-15-4-3-5-16(12-15)22-19(26)13-27-17-9-7-14(8-10-17)20-24-23-18-6-1-2-11-25(18)20/h3-5,7-10,12H,1-2,6,11,13H2,(H,22,26).
What are the key properties of N-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
N-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]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 N-(3-fluorophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide is sourced from PubChem (CID 91889134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).