2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one

C13H15F3N2O3 — CID 95509715

IUPAC2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCO[C@H](C(F)(F)F)C2)c(C)[nH]1
InChIInChI=1S/C13H15F3N2O3/c1-7-5-9(19)11(8(2)17-7)12(20)18-3-4-21-10(6-18)13(14,15)16/h5,10H,3-4,6H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyFXPAOCUMMPKQAG-JTQLQIEISA-N
MW304.27 g/mol
LogP1.40
Rot. Bonds1

About 2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one

2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one (PubChem CID 95509715) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
PubChem CID95509715
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCO[C@H](C(F)(F)F)C2)c(C)[nH]1
InChIInChI=1S/C13H15F3N2O3/c1-7-5-9(19)11(8(2)17-7)12(20)18-3-4-21-10(6-18)13(14,15)16/h5,10H,3-4,6H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyFXPAOCUMMPKQAG-JTQLQIEISA-N
XLogP1.40
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one (CID 95509715) is 2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCO[C@H](C(F)(F)F)C2)c(C)[nH]1.
What is the InChIKey of 2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The InChIKey is FXPAOCUMMPKQAG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-7-5-9(19)11(8(2)17-7)12(20)18-3-4-21-10(6-18)13(14,15)16/h5,10H,3-4,6H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one has a molecular weight of 304.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 95509715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).