3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one

C20H20N2O2 — CID 54696580

IUPAC3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one
SMILESCCCCc1c(O)cc(-c2ccncc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H20N2O2/c1-2-3-9-17-19(23)14-18(15-10-12-21-13-11-15)22(20(17)24)16-7-5-4-6-8-16/h4-8,10-14,23H,2-3,9H2,1H3
InChIKeyBTLLOXOXIKZPMZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.95
Rot. Bonds5

About 3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one

3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one (PubChem CID 54696580) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one
PubChem CID54696580
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one
SMILESCCCCc1c(O)cc(-c2ccncc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H20N2O2/c1-2-3-9-17-19(23)14-18(15-10-12-21-13-11-15)22(20(17)24)16-7-5-4-6-8-16/h4-8,10-14,23H,2-3,9H2,1H3
InChIKeyBTLLOXOXIKZPMZ-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one?
The IUPAC name of 3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one (CID 54696580) is 3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one is CCCCc1c(O)cc(-c2ccncc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one?
The InChIKey is BTLLOXOXIKZPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-3-9-17-19(23)14-18(15-10-12-21-13-11-15)22(20(17)24)16-7-5-4-6-8-16/h4-8,10-14,23H,2-3,9H2,1H3.
What are the key properties of 3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one?
3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxy-1-phenyl-6-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 54696580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).