4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one

C15H20F3N3O2 — CID 130360002

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one
SMILESC[C@@H]1COCCN1c1cc(N2CCC[C@H]2C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C15H20F3N3O2/c1-10-9-23-6-5-20(10)11-7-13(19-14(22)8-11)21-4-2-3-12(21)15(16,17)18/h7-8,10,12H,2-6,9H2,1H3,(H,19,22)/t10-,12+/m1/s1
InChIKeyMKNQUJFOKNHRDF-PWSUYJOCSA-N
MW331.34 g/mol
LogP2.13
Rot. Bonds2

About 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one

4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one (PubChem CID 130360002) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one
PubChem CID130360002
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one
SMILESC[C@@H]1COCCN1c1cc(N2CCC[C@H]2C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C15H20F3N3O2/c1-10-9-23-6-5-20(10)11-7-13(19-14(22)8-11)21-4-2-3-12(21)15(16,17)18/h7-8,10,12H,2-6,9H2,1H3,(H,19,22)/t10-,12+/m1/s1
InChIKeyMKNQUJFOKNHRDF-PWSUYJOCSA-N
XLogP2.13
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one (CID 130360002) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one is C[C@@H]1COCCN1c1cc(N2CCC[C@H]2C(F)(F)F)[nH]c(=O)c1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one?
The InChIKey is MKNQUJFOKNHRDF-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10-9-23-6-5-20(10)11-7-13(19-14(22)8-11)21-4-2-3-12(21)15(16,17)18/h7-8,10,12H,2-6,9H2,1H3,(H,19,22)/t10-,12+/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one has a molecular weight of 331.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 130360002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).