3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide

C18H12N4O2 — CID 51037934

IUPAC3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)c2)c1
InChIInChI=1S/C18H12N4O2/c19-9-13-3-1-4-14(7-13)18(23)22-15-8-17(12-21-10-15)24-16-5-2-6-20-11-16/h1-8,10-12H,(H,22,23)
InChIKeyUAVQBIRHLQKQEF-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.39
Rot. Bonds4

About 3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide

3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide (PubChem CID 51037934) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide
PubChem CID51037934
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)c2)c1
InChIInChI=1S/C18H12N4O2/c19-9-13-3-1-4-14(7-13)18(23)22-15-8-17(12-21-10-15)24-16-5-2-6-20-11-16/h1-8,10-12H,(H,22,23)
InChIKeyUAVQBIRHLQKQEF-UHFFFAOYSA-N
XLogP3.39
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide?
The IUPAC name of 3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide (CID 51037934) is 3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide is N#Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)c2)c1.
What is the InChIKey of 3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide?
The InChIKey is UAVQBIRHLQKQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c19-9-13-3-1-4-14(7-13)18(23)22-15-8-17(12-21-10-15)24-16-5-2-6-20-11-16/h1-8,10-12H,(H,22,23).
What are the key properties of 3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide?
3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide has a molecular weight of 316.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide is sourced from PubChem (CID 51037934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).