3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one

C20H16N2O3 — CID 22319239

IUPAC3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESO=c1c(C2=COCCO2)cc(-c2ccccn2)cn1-c1ccccc1
InChIInChI=1S/C20H16N2O3/c23-20-17(19-14-24-10-11-25-19)12-15(18-8-4-5-9-21-18)13-22(20)16-6-2-1-3-7-16/h1-9,12-14H,10-11H2
InChIKeyJPQGYORYUQIISF-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.24
Rot. Bonds3

About 3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one

3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one (PubChem CID 22319239) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
PubChem CID22319239
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESO=c1c(C2=COCCO2)cc(-c2ccccn2)cn1-c1ccccc1
InChIInChI=1S/C20H16N2O3/c23-20-17(19-14-24-10-11-25-19)12-15(18-8-4-5-9-21-18)13-22(20)16-6-2-1-3-7-16/h1-9,12-14H,10-11H2
InChIKeyJPQGYORYUQIISF-UHFFFAOYSA-N
XLogP3.24
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The IUPAC name of 3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one (CID 22319239) is 3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one is O=c1c(C2=COCCO2)cc(-c2ccccn2)cn1-c1ccccc1.
What is the InChIKey of 3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The InChIKey is JPQGYORYUQIISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-20-17(19-14-24-10-11-25-19)12-15(18-8-4-5-9-21-18)13-22(20)16-6-2-1-3-7-16/h1-9,12-14H,10-11H2.
What are the key properties of 3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one?
3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one has a molecular weight of 332.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-dioxin-5-yl)-1-phenyl-5-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 22319239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).