3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one

C20H19FN2O3 — CID 155247766

IUPAC3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one
SMILESCc1cc(F)cc(C)c1Oc1c(-c2ccc(=O)n(C)c2)ccn(C)c1=O
InChIInChI=1S/C20H19FN2O3/c1-12-9-15(21)10-13(2)18(12)26-19-16(7-8-22(3)20(19)25)14-5-6-17(24)23(4)11-14/h5-11H,1-4H3
InChIKeyZUTIIHJFWCHLNK-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.30
Rot. Bonds3

About 3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one

3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one (PubChem CID 155247766) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one.

Molecular Properties

Compound Name3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one
PubChem CID155247766
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one
SMILESCc1cc(F)cc(C)c1Oc1c(-c2ccc(=O)n(C)c2)ccn(C)c1=O
InChIInChI=1S/C20H19FN2O3/c1-12-9-15(21)10-13(2)18(12)26-19-16(7-8-22(3)20(19)25)14-5-6-17(24)23(4)11-14/h5-11H,1-4H3
InChIKeyZUTIIHJFWCHLNK-UHFFFAOYSA-N
XLogP3.30
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one?
The IUPAC name of 3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one (CID 155247766) is 3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one.
What is the SMILES notation for 3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one?
The canonical SMILES for 3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one is Cc1cc(F)cc(C)c1Oc1c(-c2ccc(=O)n(C)c2)ccn(C)c1=O.
What is the InChIKey of 3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one?
The InChIKey is ZUTIIHJFWCHLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12-9-15(21)10-13(2)18(12)26-19-16(7-8-22(3)20(19)25)14-5-6-17(24)23(4)11-14/h5-11H,1-4H3.
What are the key properties of 3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one?
3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one has a molecular weight of 354.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)pyridin-2-one is sourced from PubChem (CID 155247766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).