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

C20H19F2N3O2 — CID 90027205

IUPAC5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one
SMILESCCNc1cc(=O)n(C)cc1-c1cc(N)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C20H19F2N3O2/c1-3-24-17-10-20(26)25(2)11-15(17)14-9-13(23)5-7-18(14)27-19-6-4-12(21)8-16(19)22/h4-11,24H,3,23H2,1-2H3
InChIKeyZUMIANWHUCVJRV-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.14
Rot. Bonds5

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

5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one (PubChem CID 90027205) 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]-4-(ethylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one
PubChem CID90027205
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one
SMILESCCNc1cc(=O)n(C)cc1-c1cc(N)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C20H19F2N3O2/c1-3-24-17-10-20(26)25(2)11-15(17)14-9-13(23)5-7-18(14)27-19-6-4-12(21)8-16(19)22/h4-11,24H,3,23H2,1-2H3
InChIKeyZUMIANWHUCVJRV-UHFFFAOYSA-N
XLogP4.14
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one (CID 90027205) is 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one is CCNc1cc(=O)n(C)cc1-c1cc(N)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one?
The InChIKey is ZUMIANWHUCVJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-3-24-17-10-20(26)25(2)11-15(17)14-9-13(23)5-7-18(14)27-19-6-4-12(21)8-16(19)22/h4-11,24H,3,23H2,1-2H3.
What are the key properties of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one?
5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one has a molecular weight of 371.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 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]-4-(ethylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 90027205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).