4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one

C21H22F3N3O3 — CID 162616452

IUPAC4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one
SMILESC=C1COCCN1c1cc(N2CCCC2c2cccc(OC(F)(F)F)c2)[nH]c(=O)c1
InChIInChI=1S/C21H22F3N3O3/c1-14-13-29-9-8-26(14)16-11-19(25-20(28)12-16)27-7-3-6-18(27)15-4-2-5-17(10-15)30-21(22,23)24/h2,4-5,10-12,18H,1,3,6-9,13H2,(H,25,28)
InChIKeyRAGOKRLDTGGYFM-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.97
Rot. Bonds4

About 4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one

4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one (PubChem CID 162616452) has the molecular formula C21H22F3N3O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is 4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one
PubChem CID162616452
Molecular FormulaC21H22F3N3O3
Molecular Weight421.42 g/mol
Exact Mass421.16
IUPAC Name4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one
SMILESC=C1COCCN1c1cc(N2CCCC2c2cccc(OC(F)(F)F)c2)[nH]c(=O)c1
InChIInChI=1S/C21H22F3N3O3/c1-14-13-29-9-8-26(14)16-11-19(25-20(28)12-16)27-7-3-6-18(27)15-4-2-5-17(10-15)30-21(22,23)24/h2,4-5,10-12,18H,1,3,6-9,13H2,(H,25,28)
InChIKeyRAGOKRLDTGGYFM-UHFFFAOYSA-N
XLogP3.97
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
CID 130344659
6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
CID 130344691
(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 70821754
3-[3-(trifluoromethoxy)phenyl]cycloheptan-1-one
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1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
CID 107105376
3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione
CID 144594368
(3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine
CID 130344741
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 19710959
(3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 95904468
(6aS)-2-(trifluoromethoxy)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 122561800
4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 168686502

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one (CID 162616452) is 4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one is C=C1COCCN1c1cc(N2CCCC2c2cccc(OC(F)(F)F)c2)[nH]c(=O)c1.
What is the InChIKey of 4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one?
The InChIKey is RAGOKRLDTGGYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3/c1-14-13-29-9-8-26(14)16-11-19(25-20(28)12-16)27-7-3-6-18(27)15-4-2-5-17(10-15)30-21(22,23)24/h2,4-5,10-12,18H,1,3,6-9,13H2,(H,25,28).
What are the key properties of 4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one?
4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one has a molecular weight of 421.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylidenemorpholin-4-yl)-6-[2-[3-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 162616452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).