2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide

C20H16F3N3O4 — CID 78110791

IUPAC2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide
SMILESNC(=O)C(O)C(O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C20H16F3N3O4/c21-20(22,23)12-6-9-16(25-10-12)30-13-7-4-11(5-8-13)14-2-1-3-15(26-14)17(27)18(28)19(24)29/h1-10,17-18,27-28H,(H2,24,29)
InChIKeyVETIEAKCCZYWEU-UHFFFAOYSA-N
MW419.36 g/mol
LogP2.83
Rot. Bonds6

About 2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide

2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide (PubChem CID 78110791) has the molecular formula C20H16F3N3O4 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide
PubChem CID78110791
Molecular FormulaC20H16F3N3O4
Molecular Weight419.36 g/mol
Exact Mass419.11
IUPAC Name2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide
SMILESNC(=O)C(O)C(O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C20H16F3N3O4/c21-20(22,23)12-6-9-16(25-10-12)30-13-7-4-11(5-8-13)14-2-1-3-15(26-14)17(27)18(28)19(24)29/h1-10,17-18,27-28H,(H2,24,29)
InChIKeyVETIEAKCCZYWEU-UHFFFAOYSA-N
XLogP2.83
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5R)-N,N'-bis[(2S)-2,3-dimethylbutanoyl]-2,3,4-trihydroxy-5-(4-pyridin-2-ylphenoxy)hexanediamide
CID 44398450
(R)-2-(2-(4-(2-(hydroxymethyl)oxazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9924779
(R)-2-(2-(4-(2-(methoxymethyl)oxazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10155942
(R)-2-(2-(4-(2-(benzyloxymethyl)oxazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10297331
(2R,3S)-3-[6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]-2,3-dihydroxypropanamide
CID 71556801
(2R,3S)-2,3-dihydroxy-3-[6-[5-methyl-3-(trifluoromethyl)-6H-benzo[b][1,4]benzoxazepin-8-yl]pyridin-2-yl]propanamide
CID 118158995
[2-[1-Hydroxy-2-oxo-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]phenyl]boronic acid
CID 137658655
(2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]propanamide
CID 71553523
(2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]-2,3-dihydroxypropanamide
CID 71555902
(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]-2,3-dihydroxypropanamide
CID 71555903
(2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 71555904
(2R,3S)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 71555905

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide?
The IUPAC name of 2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide (CID 78110791) is 2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide?
The canonical SMILES for 2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide is NC(=O)C(O)C(O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1.
What is the InChIKey of 2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide?
The InChIKey is VETIEAKCCZYWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4/c21-20(22,23)12-6-9-16(25-10-12)30-13-7-4-11(5-8-13)14-2-1-3-15(26-14)17(27)18(28)19(24)29/h1-10,17-18,27-28H,(H2,24,29).
What are the key properties of 2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide?
2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide has a molecular weight of 419.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 78110791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).