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

C21H19F2N3O2 — CID 90027849

IUPAC5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one
SMILESCn1cc(-c2cc(N)ccc2Oc2ccc(F)cc2F)c(NC2CC2)cc1=O
InChIInChI=1S/C21H19F2N3O2/c1-26-11-16(18(10-21(26)27)25-14-4-5-14)15-9-13(24)3-7-19(15)28-20-6-2-12(22)8-17(20)23/h2-3,6-11,14,25H,4-5,24H2,1H3
InChIKeyFUCBMYSELRDLDR-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.28
Rot. Bonds5

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

5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one (PubChem CID 90027849) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one
PubChem CID90027849
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one
SMILESCn1cc(-c2cc(N)ccc2Oc2ccc(F)cc2F)c(NC2CC2)cc1=O
InChIInChI=1S/C21H19F2N3O2/c1-26-11-16(18(10-21(26)27)25-14-4-5-14)15-9-13(24)3-7-19(15)28-20-6-2-12(22)8-17(20)23/h2-3,6-11,14,25H,4-5,24H2,1H3
InChIKeyFUCBMYSELRDLDR-UHFFFAOYSA-N
XLogP4.28
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.28
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-(cyclopropylamino)-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one (CID 90027849) is 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one is Cn1cc(-c2cc(N)ccc2Oc2ccc(F)cc2F)c(NC2CC2)cc1=O.
What is the InChIKey of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one?
The InChIKey is FUCBMYSELRDLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-26-11-16(18(10-21(26)27)25-14-4-5-14)15-9-13(24)3-7-19(15)28-20-6-2-12(22)8-17(20)23/h2-3,6-11,14,25H,4-5,24H2,1H3.
What are the key properties of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one?
5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one has a molecular weight of 383.40 g/mol, XLogP of 4.28, 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-(cyclopropylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 90027849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).