3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one

C14H15FN2O — CID 82466922

IUPAC3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1c(-c2ccc(F)cc2)ccc(N)c1=O
InChIInChI=1S/C14H15FN2O/c1-9(2)17-13(8-7-12(16)14(17)18)10-3-5-11(15)6-4-10/h3-9H,16H2,1-2H3
InChIKeyOHLIFXMVJOIHRR-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.82
Rot. Bonds2

About 3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one

3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one (PubChem CID 82466922) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one
PubChem CID82466922
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1c(-c2ccc(F)cc2)ccc(N)c1=O
InChIInChI=1S/C14H15FN2O/c1-9(2)17-13(8-7-12(16)14(17)18)10-3-5-11(15)6-4-10/h3-9H,16H2,1-2H3
InChIKeyOHLIFXMVJOIHRR-UHFFFAOYSA-N
XLogP2.82
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 82099792
6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one
CID 82519583
3-amino-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
CID 105475198
3-amino-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one
CID 82466930
3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189293
3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one
CID 82467021
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82519490
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride
CID 82519475
2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520421
3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519555
3-(bromomethyl)-6-phenyl-1-propan-2-ylpyridin-2-one
CID 82521214
2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63188091

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one (CID 82466922) is 3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one is CC(C)n1c(-c2ccc(F)cc2)ccc(N)c1=O.
What is the InChIKey of 3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one?
The InChIKey is OHLIFXMVJOIHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9(2)17-13(8-7-12(16)14(17)18)10-3-5-11(15)6-4-10/h3-9H,16H2,1-2H3.
What are the key properties of 3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one?
3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one has a molecular weight of 246.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82466922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).