(2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide

C84H70F6N12O16 — CID 157405409

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

(2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide (PubChem CID 157405409) has the molecular formula C84H70F6N12O16 and a molecular weight of 1617.54 g/mol. Its IUPAC name is (2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: (2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide
• PubChem CID: 157405409
• Molecular Formula: C84H70F6N12O16
• Molecular Weight: 1617.54 g/mol
• Exact Mass: 1616.49
• IUPAC Name: (2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide
• SMILES: Cc1ccc(Oc2ccc(-c3cccc([C@@H](O)[C@H](O)C(N)=O)n3)cc2)nc1.Cc1ccc(Oc2ccc(-c3cccc([C@H](O)[C@@H](O)C(N)=O)n3)cc2)nc1.N#Cc1ccc(Oc2ccc(-c3cccc([C@@H](O)[C@H](O)C(N)=O)n3)cc2)cc1C(F)(F)F.N#Cc1ccc(Oc2ccc(-c3cccc([C@H](O)[C@@H](O)C(N)=O)n3)cc2)cc1C(F)(F)F
• InChI: InChI=1S/2C22H16F3N3O4.2C20H19N3O4/c2*23-22(24,25)16-10-15(9-6-13(16)11-26)32-14-7-4-12(5-8-14)17-2-1-3-18(28-17)19(29)20(30)21(27)31;2*1-12-5-10-17(22-11-12)27-14-8-6-13(7-9-14)15-3-2-4-16(23-15)18(24)19(25)20(21)26/h2*1-10,19-20,29-30H,(H2,27,31);2*2-11,18-19,24-25H,1H3,(H2,21,26)/t2*19-,20+;2*18-,19+/m1010/s1
• InChIKey: BNQUIQVSMQLAQA-XMDLMXSESA-N
• XLogP: 10.87
• TPSA: 496.04 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1617.54
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide?

The IUPAC name of (2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide (CID 157405409) is (2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide.

What is the SMILES notation for (2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide?

The canonical SMILES for (2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide is Cc1ccc(Oc2ccc(-c3cccc([C@@H](O)[C@H](O)C(N)=O)n3)cc2)nc1.Cc1ccc(Oc2ccc(-c3cccc([C@H](O)[C@@H](O)C(N)=O)n3)cc2)nc1.N#Cc1ccc(Oc2ccc(-c3cccc([C@@H](O)[C@H](O)C(N)=O)n3)cc2)cc1C(F)(F)F.N#Cc1ccc(Oc2ccc(-c3cccc([C@H](O)[C@@H](O)C(N)=O)n3)cc2)cc1C(F)(F)F.

What is the InChIKey of (2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide?

The InChIKey is BNQUIQVSMQLAQA-XMDLMXSESA-N. The full InChI is InChI=1S/2C22H16F3N3O4.2C20H19N3O4/c2*23-22(24,25)16-10-15(9-6-13(16)11-26)32-14-7-4-12(5-8-14)17-2-1-3-18(28-17)19(29)20(30)21(27)31;2*1-12-5-10-17(22-11-12)27-14-8-6-13(7-9-14)15-3-2-4-16(23-15)18(24)19(25)20(21)26/h2*1-10,19-20,29-30H,(H2,27,31);2*2-11,18-19,24-25H,1H3,(H2,21,26)/t2*19-,20+;2*18-,19+/m1010/s1.

What are the key properties of (2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide?

(2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide has a molecular weight of 1617.54 g/mol, XLogP of 10.87, 24 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2S,3R)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 157405409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).