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

C20H20F2N4O2 — CID 134311515

IUPAC5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one
SMILESCN(C)c1cc(-c2cc(NN)ccc2Oc2ccc(F)cc2F)cn(C)c1=O
InChIInChI=1S/C20H20F2N4O2/c1-25(2)17-8-12(11-26(3)20(17)27)15-10-14(24-23)5-7-18(15)28-19-6-4-13(21)9-16(19)22/h4-11,24H,23H2,1-3H3
InChIKeyGIBPFTAJISCFCL-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.47
Rot. Bonds5

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

5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one (PubChem CID 134311515) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one
PubChem CID134311515
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one
SMILESCN(C)c1cc(-c2cc(NN)ccc2Oc2ccc(F)cc2F)cn(C)c1=O
InChIInChI=1S/C20H20F2N4O2/c1-25(2)17-8-12(11-26(3)20(17)27)15-10-14(24-23)5-7-18(15)28-19-6-4-13(21)9-16(19)22/h4-11,24H,23H2,1-3H3
InChIKeyGIBPFTAJISCFCL-UHFFFAOYSA-N
XLogP3.47
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one (CID 134311515) is 5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one is CN(C)c1cc(-c2cc(NN)ccc2Oc2ccc(F)cc2F)cn(C)c1=O.
What is the InChIKey of 5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one?
The InChIKey is GIBPFTAJISCFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-25(2)17-8-12(11-26(3)20(17)27)15-10-14(24-23)5-7-18(15)28-19-6-4-13(21)9-16(19)22/h4-11,24H,23H2,1-3H3.
What are the key properties of 5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one?
5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one has a molecular weight of 386.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 134311515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).