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

C20H16F3N3O4 — CID 71556866

IUPAC(2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide
SMILESNC(=O)[C@@H](O)[C@H](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)/t17-,18+/m1/s1
InChIKeyVETIEAKCCZYWEU-MSOLQXFVSA-N
MW419.36 g/mol
LogP2.83
Rot. Bonds6

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

(2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide (PubChem CID 71556866) has the molecular formula C20H16F3N3O4 and a molecular weight of 419.36 g/mol. Its IUPAC name is (2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide
PubChem CID71556866
Molecular FormulaC20H16F3N3O4
Molecular Weight419.36 g/mol
Exact Mass419.11
IUPAC Name(2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide
SMILESNC(=O)[C@@H](O)[C@H](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)/t17-,18+/m1/s1
InChIKeyVETIEAKCCZYWEU-MSOLQXFVSA-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

CID 44398450
CID 44398450
CID 9924779
CID 9924779
CID 10155942
CID 10155942
CID 10297331
CID 10297331
CID 71556801
CID 71556801
CID 118158995
CID 118158995
CID 137658655
CID 137658655
CID 71553523
CID 71553523
CID 71555902
CID 71555902
CID 71555903
CID 71555903
CID 71555904
CID 71555904
CID 71555905
CID 71555905

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide?
The IUPAC name of (2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide (CID 71556866) is (2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide.
What is the SMILES notation for (2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide?
The canonical SMILES for (2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide is NC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1.
What is the InChIKey of (2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide?
The InChIKey is VETIEAKCCZYWEU-MSOLQXFVSA-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)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide?
(2S,3R)-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 (2S,3R)-2,3-dihydroxy-3-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 71556866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).