3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one

C25H22N2O — CID 18467201

IUPAC3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C25H22N2O/c1-17(2)18-8-10-20(11-9-18)23-16-22(19-12-14-26-15-13-19)24(25(28)27-23)21-6-4-3-5-7-21/h3-17H,1-2H3,(H,27,28)
InChIKeyAGRZWMGMDVGVCY-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.89
Rot. Bonds4

About 3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one

3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 18467201) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one
PubChem CID18467201
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C25H22N2O/c1-17(2)18-8-10-20(11-9-18)23-16-22(19-12-14-26-15-13-19)24(25(28)27-23)21-6-4-3-5-7-21/h3-17H,1-2H3,(H,27,28)
InChIKeyAGRZWMGMDVGVCY-UHFFFAOYSA-N
XLogP5.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
CID 18767882
6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
CID 18767973
2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 134820680
3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione
CID 101485547
tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride
CID 135955737
4-methyl-3,6-diphenyl-1H-pyridin-2-one
CID 621416
3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520486
4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 11493199
3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520467
3-(bromomethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520471
3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one
CID 129448563
4-[4-[2,4-diphenyl-5-(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 67990612

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one (CID 18467201) is 3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one is CC(C)c1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)c(=O)[nH]2)cc1.
What is the InChIKey of 3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is AGRZWMGMDVGVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-17(2)18-8-10-20(11-9-18)23-16-22(19-12-14-26-15-13-19)24(25(28)27-23)21-6-4-3-5-7-21/h3-17H,1-2H3,(H,27,28).
What are the key properties of 3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one?
3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 366.46 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 18467201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).