3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one

C21H15N3O — CID 10268197

IUPAC3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
SMILESO=c1c(-c2ccccc2)cc(-c2ccccn2)cn1-c1cccnc1
InChIInChI=1S/C21H15N3O/c25-21-19(16-7-2-1-3-8-16)13-17(20-10-4-5-12-23-20)15-24(21)18-9-6-11-22-14-18/h1-15H
InChIKeyIFSJBYIVJYAKOF-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.96
Rot. Bonds3

About 3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one

3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one (PubChem CID 10268197) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
PubChem CID10268197
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
SMILESO=c1c(-c2ccccc2)cc(-c2ccccn2)cn1-c1cccnc1
InChIInChI=1S/C21H15N3O/c25-21-19(16-7-2-1-3-8-16)13-17(20-10-4-5-12-23-20)15-24(21)18-9-6-11-22-14-18/h1-15H
InChIKeyIFSJBYIVJYAKOF-UHFFFAOYSA-N
XLogP3.96
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
The IUPAC name of 3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one (CID 10268197) is 3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one is O=c1c(-c2ccccc2)cc(-c2ccccn2)cn1-c1cccnc1.
What is the InChIKey of 3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
The InChIKey is IFSJBYIVJYAKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21-19(16-7-2-1-3-8-16)13-17(20-10-4-5-12-23-20)15-24(21)18-9-6-11-22-14-18/h1-15H.
What are the key properties of 3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one has a molecular weight of 325.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 10268197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).