5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one

C20H21FN2O2 — CID 167134276

IUPAC5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one
SMILESCc1cc(F)cc(C)c1OC1=C(c2ccc(=O)n(C)c2)C=CN(C)C1
InChIInChI=1S/C20H21FN2O2/c1-13-9-16(21)10-14(2)20(13)25-18-12-22(3)8-7-17(18)15-5-6-19(24)23(4)11-15/h5-11H,12H2,1-4H3
InChIKeyYQUFCUGEWBVIRP-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.39
Rot. Bonds3

About 5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one

5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one (PubChem CID 167134276) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one
PubChem CID167134276
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one
SMILESCc1cc(F)cc(C)c1OC1=C(c2ccc(=O)n(C)c2)C=CN(C)C1
InChIInChI=1S/C20H21FN2O2/c1-13-9-16(21)10-14(2)20(13)25-18-12-22(3)8-7-17(18)15-5-6-19(24)23(4)11-15/h5-11H,12H2,1-4H3
InChIKeyYQUFCUGEWBVIRP-UHFFFAOYSA-N
XLogP3.39
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one (CID 167134276) is 5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one is Cc1cc(F)cc(C)c1OC1=C(c2ccc(=O)n(C)c2)C=CN(C)C1.
What is the InChIKey of 5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one?
The InChIKey is YQUFCUGEWBVIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-9-16(21)10-14(2)20(13)25-18-12-22(3)8-7-17(18)15-5-6-19(24)23(4)11-15/h5-11H,12H2,1-4H3.
What are the key properties of 5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one?
5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one has a molecular weight of 340.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2H-pyridin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 167134276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).