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

C20H20N4O2 — CID 91889016

IUPAC2-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(-c2nnc3n2CCCC3)cc1
InChIInChI=1S/C20H20N4O2/c25-19(14-26-17-6-2-1-3-7-17)21-16-11-9-15(10-12-16)20-23-22-18-8-4-5-13-24(18)20/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,21,25)
InChIKeyCFMTZLIJBLUVLG-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.30
Rot. Bonds5

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

2-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 91889016) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
PubChem CID91889016
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(-c2nnc3n2CCCC3)cc1
InChIInChI=1S/C20H20N4O2/c25-19(14-26-17-6-2-1-3-7-17)21-16-11-9-15(10-12-16)20-23-22-18-8-4-5-13-24(18)20/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,21,25)
InChIKeyCFMTZLIJBLUVLG-UHFFFAOYSA-N
XLogP3.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of 2-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide (CID 91889016) is 2-phenoxy-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-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide is O=C(COc1ccccc1)Nc1ccc(-c2nnc3n2CCCC3)cc1.
What is the InChIKey of 2-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
The InChIKey is CFMTZLIJBLUVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(14-26-17-6-2-1-3-7-17)21-16-11-9-15(10-12-16)20-23-22-18-8-4-5-13-24(18)20/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,21,25).
What are the key properties of 2-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
2-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 91889016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).