(2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide

C21H17F3N2O4 — CID 71553523

IUPAC(2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide
SMILESNC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C21H17F3N2O4/c22-21(23,24)13-6-10-15(11-7-13)30-14-8-4-12(5-9-14)16-2-1-3-17(26-16)18(27)19(28)20(25)29/h1-11,18-19,27-28H,(H2,25,29)/t18-,19+/m1/s1
InChIKeyFKSYLUDIQPWHCT-MOPGFXCFSA-N
MW418.37 g/mol
LogP3.44
Rot. Bonds6

About (2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide

(2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide (PubChem CID 71553523) has the molecular formula C21H17F3N2O4 and a molecular weight of 418.37 g/mol. Its IUPAC name is (2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide
PubChem CID71553523
Molecular FormulaC21H17F3N2O4
Molecular Weight418.37 g/mol
Exact Mass418.11
IUPAC Name(2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide
SMILESNC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C21H17F3N2O4/c22-21(23,24)13-6-10-15(11-7-13)30-14-8-4-12(5-9-14)16-2-1-3-17(26-16)18(27)19(28)20(25)29/h1-11,18-19,27-28H,(H2,25,29)/t18-,19+/m1/s1
InChIKeyFKSYLUDIQPWHCT-MOPGFXCFSA-N
XLogP3.44
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 78110790
(1S)-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]ethane-1,2-diol
CID 56943275
[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methanol
CID 66806394
(1R)-1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
CID 56943336
2-phenoxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 102190448
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one
CID 121354458
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
1-[2-[4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]phenoxy]-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone
CID 159160043
6-[4-[2-[(dimethylamino)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
CID 86275713
ethyl 2-[2-methyl-4-[3-methyl-1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]butoxy]phenoxy]acetate
CID 58629882
(2S)-3,4-dihydroxy-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidin-4-yl]oxybutanamide
CID 172842411
6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
CID 86275236

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide?
The IUPAC name of (2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide (CID 71553523) is (2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide.
What is the SMILES notation for (2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide?
The canonical SMILES for (2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide is NC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1.
What is the InChIKey of (2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide?
The InChIKey is FKSYLUDIQPWHCT-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H17F3N2O4/c22-21(23,24)13-6-10-15(11-7-13)30-14-8-4-12(5-9-14)16-2-1-3-17(26-16)18(27)19(28)20(25)29/h1-11,18-19,27-28H,(H2,25,29)/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide?
(2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide has a molecular weight of 418.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 71553523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).