3,5-dipyridin-4-yl-1H-pyridin-2-one

C15H11N3O — CID 46316548

IUPAC3,5-dipyridin-4-yl-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccncc2)cc1-c1ccncc1
InChIInChI=1S/C15H11N3O/c19-15-14(12-3-7-17-8-4-12)9-13(10-18-15)11-1-5-16-6-2-11/h1-10H,(H,18,19)
InChIKeyJJJKOHGCCQSLBX-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.50
Rot. Bonds2

About 3,5-dipyridin-4-yl-1H-pyridin-2-one

3,5-dipyridin-4-yl-1H-pyridin-2-one (PubChem CID 46316548) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 3,5-dipyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dipyridin-4-yl-1H-pyridin-2-one
PubChem CID46316548
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name3,5-dipyridin-4-yl-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccncc2)cc1-c1ccncc1
InChIInChI=1S/C15H11N3O/c19-15-14(12-3-7-17-8-4-12)9-13(10-18-15)11-1-5-16-6-2-11/h1-10H,(H,18,19)
InChIKeyJJJKOHGCCQSLBX-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 3,5-dipyridin-4-yl-1H-pyridin-2-one (CID 46316548) is 3,5-dipyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dipyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 3,5-dipyridin-4-yl-1H-pyridin-2-one is O=c1[nH]cc(-c2ccncc2)cc1-c1ccncc1.
What is the InChIKey of 3,5-dipyridin-4-yl-1H-pyridin-2-one?
The InChIKey is JJJKOHGCCQSLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-15-14(12-3-7-17-8-4-12)9-13(10-18-15)11-1-5-16-6-2-11/h1-10H,(H,18,19).
What are the key properties of 3,5-dipyridin-4-yl-1H-pyridin-2-one?
3,5-dipyridin-4-yl-1H-pyridin-2-one has a molecular weight of 249.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 46316548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).