(2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide

C14H17F3N2O5 — CID 171558718

IUPAC(2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide
SMILESC[C@H]1O[C@H](C(N)=O)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](CO)[C@H]1O
InChIInChI=1S/C14H17F3N2O5/c1-6-10(21)7(5-20)11(12(23-6)13(18)22)24-9-4-2-3-8(19-9)14(15,16)17/h2-4,6-7,10-12,20-21H,5H2,1H3,(H2,18,22)/t6-,7+,10+,11-,12+/m1/s1
InChIKeyYAZYYPDYYQGZDO-QWGROXHOSA-N
MW350.29 g/mol
LogP0.09
Rot. Bonds4

About (2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide

(2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide (PubChem CID 171558718) has the molecular formula C14H17F3N2O5 and a molecular weight of 350.29 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide
PubChem CID171558718
Molecular FormulaC14H17F3N2O5
Molecular Weight350.29 g/mol
Exact Mass350.11
IUPAC Name(2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide
SMILESC[C@H]1O[C@H](C(N)=O)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](CO)[C@H]1O
InChIInChI=1S/C14H17F3N2O5/c1-6-10(21)7(5-20)11(12(23-6)13(18)22)24-9-4-2-3-8(19-9)14(15,16)17/h2-4,6-7,10-12,20-21H,5H2,1H3,(H2,18,22)/t6-,7+,10+,11-,12+/m1/s1
InChIKeyYAZYYPDYYQGZDO-QWGROXHOSA-N
XLogP0.09
TPSA114.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide
CID 171556615
1-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]ethanone
CID 171557050
2-[2-[2-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carbonyl]amino]ethoxy]ethoxy]acetic acid
CID 171557261
(2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol
CID 171557304
(2S,3R,4S,5R,6R)-4-formyl-5-hydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxylic acid
CID 171557731
(2R,3S,5S,6R)-5-hydroxy-2-(1-hydroxyethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-4-one
CID 171558198
tert-butyl 2-[2-[2-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carbonyl]amino]ethoxy]ethoxy]acetate
CID 171558416
(3aS,4R,6S,7R,7aR)-2,2,4-trimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxamide
CID 171558774
(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxylic acid
CID 171558805
(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide
CID 171558856
4,5-Dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide
CID 176307129
2-[2-[2-[[(2S,3R,6R)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carbonyl]amino]ethoxy]ethoxy]acetic acid
CID 177015595

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide?
The IUPAC name of (2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide (CID 171558718) is (2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide.
What is the SMILES notation for (2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide?
The canonical SMILES for (2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide is C[C@H]1O[C@H](C(N)=O)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](CO)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide?
The InChIKey is YAZYYPDYYQGZDO-QWGROXHOSA-N. The full InChI is InChI=1S/C14H17F3N2O5/c1-6-10(21)7(5-20)11(12(23-6)13(18)22)24-9-4-2-3-8(19-9)14(15,16)17/h2-4,6-7,10-12,20-21H,5H2,1H3,(H2,18,22)/t6-,7+,10+,11-,12+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide?
(2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide has a molecular weight of 350.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-5-hydroxy-4-(hydroxymethyl)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carboxamide is sourced from PubChem (CID 171558718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).