5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one

C20H19F2N3O2 — CID 146524986

IUPAC5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one
SMILESCN(C)c1cc(-c2cc(N)ccc2Oc2ccc(F)cc2F)cn(C)c1=O
InChIInChI=1S/C20H19F2N3O2/c1-24(2)17-8-12(11-25(3)20(17)26)15-10-14(23)5-7-18(15)27-19-6-4-13(21)9-16(19)22/h4-11H,23H2,1-3H3
InChIKeyCAWBIMZBHDADKX-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.77
Rot. Bonds4

About 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one

5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one (PubChem CID 146524986) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one
PubChem CID146524986
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one
SMILESCN(C)c1cc(-c2cc(N)ccc2Oc2ccc(F)cc2F)cn(C)c1=O
InChIInChI=1S/C20H19F2N3O2/c1-24(2)17-8-12(11-25(3)20(17)26)15-10-14(23)5-7-18(15)27-19-6-4-13(21)9-16(19)22/h4-11H,23H2,1-3H3
InChIKeyCAWBIMZBHDADKX-UHFFFAOYSA-N
XLogP3.77
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
CID 134512110
5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-3-fluoro-1-methylpyridin-2-one
CID 123323276
4-(2,4-difluorophenoxy)-3-(8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline
CID 134516562
1-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]pyrrole-2,5-dione
CID 158518306
N-[4-(2,4-difluorophenoxy)-3-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
CID 118021474
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]-N-methylethenesulfonamide
CID 146525014
tert-butyl N-[5-[5-amino-2-(2,6-dimethylphenoxy)phenyl]-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate
CID 146525045
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]methanesulfinamide;hydrate
CID 162322586
5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine
CID 134495337
tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate
CID 147531434
N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
CID 157238786
5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-[ethyl(methyl)amino]-1,4-dimethylpyridin-2-one
CID 142346200

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one (CID 146524986) is 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one is CN(C)c1cc(-c2cc(N)ccc2Oc2ccc(F)cc2F)cn(C)c1=O.
What is the InChIKey of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one?
The InChIKey is CAWBIMZBHDADKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-24(2)17-8-12(11-25(3)20(17)26)15-10-14(23)5-7-18(15)27-19-6-4-13(21)9-16(19)22/h4-11H,23H2,1-3H3.
What are the key properties of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one?
5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one has a molecular weight of 371.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 146524986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).