N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide

C22H16F3N3O4 — CID 57405900

IUPACN-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESN#Cc1ccc(Oc2ccc(-c3cccc(NC(=O)C(O)CO)n3)cc2)cc1C(F)(F)F
InChIInChI=1S/C22H16F3N3O4/c23-22(24,25)17-10-16(9-6-14(17)11-26)32-15-7-4-13(5-8-15)18-2-1-3-20(27-18)28-21(31)19(30)12-29/h1-10,19,29-30H,12H2,(H,27,28,31)
InChIKeyIADOXIJNBLECDN-UHFFFAOYSA-N
MW443.38 g/mol
LogP3.72
Rot. Bonds6

About N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide

N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide (PubChem CID 57405900) has the molecular formula C22H16F3N3O4 and a molecular weight of 443.38 g/mol. Its IUPAC name is N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound NameN-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
PubChem CID57405900
Molecular FormulaC22H16F3N3O4
Molecular Weight443.38 g/mol
Exact Mass443.11
IUPAC NameN-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESN#Cc1ccc(Oc2ccc(-c3cccc(NC(=O)C(O)CO)n3)cc2)cc1C(F)(F)F
InChIInChI=1S/C22H16F3N3O4/c23-22(24,25)17-10-16(9-6-14(17)11-26)32-15-7-4-13(5-8-15)18-2-1-3-20(27-18)28-21(31)19(30)12-29/h1-10,19,29-30H,12H2,(H,27,28,31)
InChIKeyIADOXIJNBLECDN-UHFFFAOYSA-N
XLogP3.72
TPSA115.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide with MolForge

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Related Compounds

(2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxy-2-[(2-hydroxyacetyl)amino]propanamide
CID 57405559
N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 57405732
(2R,3S)-3-[6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]-2,3-dihydroxypropanamide
CID 71556801
US9656959, Example 61
CID 57405560
US9656959, Example 74
CID 57405899
US9656959, Example 89
CID 57406249
US9656959, Example 91
CID 57406426
US9656959, Example 92
CID 57406427
US9656959, Example 93
CID 57406428
US9656959, Example 70
CID 57406971
(2S,3S)-N-(6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)-3-hydroxy-2-(2-hydroxyacetamido)butanamide
CID 68069678
(2S,3R)-3-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]-2,3-dihydroxypropanamide
CID 71555902

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The IUPAC name of N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide (CID 57405900) is N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The canonical SMILES for N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide is N#Cc1ccc(Oc2ccc(-c3cccc(NC(=O)C(O)CO)n3)cc2)cc1C(F)(F)F.
What is the InChIKey of N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The InChIKey is IADOXIJNBLECDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O4/c23-22(24,25)17-10-16(9-6-14(17)11-26)32-15-7-4-13(5-8-15)18-2-1-3-20(27-18)28-21(31)19(30)12-29/h1-10,19,29-30H,12H2,(H,27,28,31).
What are the key properties of N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide has a molecular weight of 443.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[4-cyano-3-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 57405900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).