4-[(6-cyano-3-pyridinyl)oxy]benzamide

C13H9N3O2 — CID 115487898

IUPAC4-[(6-cyano-3-pyridinyl)oxy]benzamide
SMILESN#Cc1ccc(Oc2ccc(C(N)=O)cc2)cn1
InChIInChI=1S/C13H9N3O2/c14-7-10-3-6-12(8-16-10)18-11-4-1-9(2-5-11)13(15)17/h1-6,8H,(H2,15,17)
InChIKeyCXVHDFRPWLWQIM-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.84
Rot. Bonds3

About 4-[(6-cyano-3-pyridinyl)oxy]benzamide

4-[(6-cyano-3-pyridinyl)oxy]benzamide (PubChem CID 115487898) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[(6-cyano-3-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name4-[(6-cyano-3-pyridinyl)oxy]benzamide
PubChem CID115487898
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name4-[(6-cyano-3-pyridinyl)oxy]benzamide
SMILESN#Cc1ccc(Oc2ccc(C(N)=O)cc2)cn1
InChIInChI=1S/C13H9N3O2/c14-7-10-3-6-12(8-16-10)18-11-4-1-9(2-5-11)13(15)17/h1-6,8H,(H2,15,17)
InChIKeyCXVHDFRPWLWQIM-UHFFFAOYSA-N
XLogP1.84
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-carbamoylphenoxy)benzamide
CID 156597124
5-(4-chlorophenoxy)pyridine-2-carbonitrile
CID 14823232
5-(4-nitrophenoxy)pyridine-2-carbonitrile
CID 115487944
4-(3-cyanopyrazin-2-yl)oxybenzamide
CID 62683866
4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide
CID 83123833
4-(4-hydroxyphenoxy)benzamide
CID 60869896
4-(2-cyanophenoxy)benzamide
CID 28825078
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
4-(4-fluorophenoxy)benzamide
CID 22142233
4-(2-amino-3-cyanophenoxy)benzamide
CID 104717169
4-(1,3-thiazol-5-yloxy)benzamide
CID 142116929
4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide
CID 133425252

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyano-3-pyridinyl)oxy]benzamide?
The IUPAC name of 4-[(6-cyano-3-pyridinyl)oxy]benzamide (CID 115487898) is 4-[(6-cyano-3-pyridinyl)oxy]benzamide.
What is the SMILES notation for 4-[(6-cyano-3-pyridinyl)oxy]benzamide?
The canonical SMILES for 4-[(6-cyano-3-pyridinyl)oxy]benzamide is N#Cc1ccc(Oc2ccc(C(N)=O)cc2)cn1.
What is the InChIKey of 4-[(6-cyano-3-pyridinyl)oxy]benzamide?
The InChIKey is CXVHDFRPWLWQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-7-10-3-6-12(8-16-10)18-11-4-1-9(2-5-11)13(15)17/h1-6,8H,(H2,15,17).
What are the key properties of 4-[(6-cyano-3-pyridinyl)oxy]benzamide?
4-[(6-cyano-3-pyridinyl)oxy]benzamide has a molecular weight of 239.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyano-3-pyridinyl)oxy]benzamide is sourced from PubChem (CID 115487898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).