3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one

C12H15F3N2O3 — CID 157042504

IUPAC3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
SMILESCO[C@@H]1CCOC[C@@H]1n1cc(C(F)(F)F)cc(N)c1=O
InChIInChI=1S/C12H15F3N2O3/c1-19-10-2-3-20-6-9(10)17-5-7(12(13,14)15)4-8(16)11(17)18/h4-5,9-10H,2-3,6,16H2,1H3/t9-,10+/m0/s1
InChIKeyLUVNSLORKQXPKJ-VHSXEESVSA-N
MW292.26 g/mol
LogP1.43
Rot. Bonds2

About 3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one

3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157042504) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID157042504
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
SMILESCO[C@@H]1CCOC[C@@H]1n1cc(C(F)(F)F)cc(N)c1=O
InChIInChI=1S/C12H15F3N2O3/c1-19-10-2-3-20-6-9(10)17-5-7(12(13,14)15)4-8(16)11(17)18/h4-5,9-10H,2-3,6,16H2,1H3/t9-,10+/m0/s1
InChIKeyLUVNSLORKQXPKJ-VHSXEESVSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one
CID 137450648
3-Amino-1-(4-methoxyoxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 157041573
3-isothiocyanato-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
CID 157041685
N-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 157041793
N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 157042009
1-(4-Methoxyoxan-3-yl)-3-nitro-5-(trifluoromethyl)pyridin-2-one
CID 157042073
3-isothiocyanato-1-[(3R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
CID 157042278
N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 157042420
3-Amino-1-(1,4-dioxan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157042484
3-Amino-1-(oxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 164559543
3-Isothiocyanato-1-(oxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 164559779
3-isothiocyanato-1-[(3R,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
CID 166507269

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one (CID 157042504) is 3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one is CO[C@@H]1CCOC[C@@H]1n1cc(C(F)(F)F)cc(N)c1=O.
What is the InChIKey of 3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is LUVNSLORKQXPKJ-VHSXEESVSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-19-10-2-3-20-6-9(10)17-5-7(12(13,14)15)4-8(16)11(17)18/h4-5,9-10H,2-3,6,16H2,1H3/t9-,10+/m0/s1.
What are the key properties of 3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one?
3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 292.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157042504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).