3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one

C24H16N2O4 — CID 17457085

IUPAC3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one
SMILESO=C(c1cc(C(=O)c2ccccc2)c(=O)n(-c2cccnc2)c1)c1ccccc1O
InChIInChI=1S/C24H16N2O4/c27-21-11-5-4-10-19(21)23(29)17-13-20(22(28)16-7-2-1-3-8-16)24(30)26(15-17)18-9-6-12-25-14-18/h1-15,27H
InChIKeyGKKWIUKFBBRNJH-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.40
Rot. Bonds5

About 3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one

3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one (PubChem CID 17457085) has the molecular formula C24H16N2O4 and a molecular weight of 396.40 g/mol. Its IUPAC name is 3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one
PubChem CID17457085
Molecular FormulaC24H16N2O4
Molecular Weight396.40 g/mol
Exact Mass396.11
IUPAC Name3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one
SMILESO=C(c1cc(C(=O)c2ccccc2)c(=O)n(-c2cccnc2)c1)c1ccccc1O
InChIInChI=1S/C24H16N2O4/c27-21-11-5-4-10-19(21)23(29)17-13-20(22(28)16-7-2-1-3-8-16)24(30)26(15-17)18-9-6-12-25-14-18/h1-15,27H
InChIKeyGKKWIUKFBBRNJH-UHFFFAOYSA-N
XLogP3.40
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one?
The IUPAC name of 3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one (CID 17457085) is 3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one is O=C(c1cc(C(=O)c2ccccc2)c(=O)n(-c2cccnc2)c1)c1ccccc1O.
What is the InChIKey of 3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one?
The InChIKey is GKKWIUKFBBRNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4/c27-21-11-5-4-10-19(21)23(29)17-13-20(22(28)16-7-2-1-3-8-16)24(30)26(15-17)18-9-6-12-25-14-18/h1-15,27H.
What are the key properties of 3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one?
3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one has a molecular weight of 396.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-5-(2-hydroxybenzoyl)-1-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 17457085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).