5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one

C18H22FN3O2 — CID 134379343

IUPAC5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one
SMILESCN(C)c1ccc(F)c(-c2cc(N3CCOCC3)c(=O)n(C)c2)c1
InChIInChI=1S/C18H22FN3O2/c1-20(2)14-4-5-16(19)15(11-14)13-10-17(18(23)21(3)12-13)22-6-8-24-9-7-22/h4-5,10-12H,6-9H2,1-3H3
InChIKeyADYPZBREGZYJCJ-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.09
Rot. Bonds3

About 5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one

5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one (PubChem CID 134379343) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one
PubChem CID134379343
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one
SMILESCN(C)c1ccc(F)c(-c2cc(N3CCOCC3)c(=O)n(C)c2)c1
InChIInChI=1S/C18H22FN3O2/c1-20(2)14-4-5-16(19)15(11-14)13-10-17(18(23)21(3)12-13)22-6-8-24-9-7-22/h4-5,10-12H,6-9H2,1-3H3
InChIKeyADYPZBREGZYJCJ-UHFFFAOYSA-N
XLogP2.09
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one?
The IUPAC name of 5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one (CID 134379343) is 5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one.
What is the SMILES notation for 5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one?
The canonical SMILES for 5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one is CN(C)c1ccc(F)c(-c2cc(N3CCOCC3)c(=O)n(C)c2)c1.
What is the InChIKey of 5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one?
The InChIKey is ADYPZBREGZYJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-20(2)14-4-5-16(19)15(11-14)13-10-17(18(23)21(3)12-13)22-6-8-24-9-7-22/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one?
5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one has a molecular weight of 331.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethylamino)-2-fluorophenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one is sourced from PubChem (CID 134379343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).