3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide

C21H17N3O4 — CID 78110790

IUPAC3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESN#Cc1ccc(Oc2ccc(-c3cccc(C(O)C(O)C(N)=O)n3)cc2)cc1
InChIInChI=1S/C21H17N3O4/c22-12-13-4-8-15(9-5-13)28-16-10-6-14(7-11-16)17-2-1-3-18(24-17)19(25)20(26)21(23)27/h1-11,19-20,25-26H,(H2,23,27)
InChIKeyPZSJUVFXYLWILL-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.29
Rot. Bonds6

About 3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide

3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide (PubChem CID 78110790) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
PubChem CID78110790
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESN#Cc1ccc(Oc2ccc(-c3cccc(C(O)C(O)C(N)=O)n3)cc2)cc1
InChIInChI=1S/C21H17N3O4/c22-12-13-4-8-15(9-5-13)28-16-10-6-14(7-11-16)17-2-1-3-18(24-17)19(25)20(26)21(23)27/h1-11,19-20,25-26H,(H2,23,27)
InChIKeyPZSJUVFXYLWILL-UHFFFAOYSA-N
XLogP2.29
TPSA129.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The IUPAC name of 3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide (CID 78110790) is 3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The canonical SMILES for 3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide is N#Cc1ccc(Oc2ccc(-c3cccc(C(O)C(O)C(N)=O)n3)cc2)cc1.
What is the InChIKey of 3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The InChIKey is PZSJUVFXYLWILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c22-12-13-4-8-15(9-5-13)28-16-10-6-14(7-11-16)17-2-1-3-18(24-17)19(25)20(26)21(23)27/h1-11,19-20,25-26H,(H2,23,27).
What are the key properties of 3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide has a molecular weight of 375.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 78110790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).