6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one

C17H21FN2O — CID 82519507

IUPAC6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCNCc1ccc(-c2ccc(F)cc2)n(CC(C)C)c1=O
InChIInChI=1S/C17H21FN2O/c1-12(2)11-20-16(13-4-7-15(18)8-5-13)9-6-14(10-19-3)17(20)21/h4-9,12,19H,10-11H2,1-3H3
InChIKeySYHRTVUTJSDPEX-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.03
Rot. Bonds5

About 6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one

6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one (PubChem CID 82519507) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
PubChem CID82519507
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCNCc1ccc(-c2ccc(F)cc2)n(CC(C)C)c1=O
InChIInChI=1S/C17H21FN2O/c1-12(2)11-20-16(13-4-7-15(18)8-5-13)9-6-14(10-19-3)17(20)21/h4-9,12,19H,10-11H2,1-3H3
InChIKeySYHRTVUTJSDPEX-UHFFFAOYSA-N
XLogP3.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
CID 82519501
1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82519547
6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbohydrazide
CID 82519493
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519825
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
3-(hydroxymethyl)-1-(2-methylpropyl)-6-(4-nitrophenyl)pyridin-2-one
CID 82516944
3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
CID 82520754
3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one
CID 82519652
3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519561
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160
1-butyl-3-(chloromethyl)-6-(4-fluorophenyl)pyridin-2-one
CID 82519520

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one (CID 82519507) is 6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one is CNCc1ccc(-c2ccc(F)cc2)n(CC(C)C)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is SYHRTVUTJSDPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12(2)11-20-16(13-4-7-15(18)8-5-13)9-6-14(10-19-3)17(20)21/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of 6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one?
6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 288.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 82519507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).