3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide

C18H12N4O2 — CID 134340776

IUPAC3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide
SMILESN#Cc1cnnc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C18H12N4O2/c19-11-13-9-17(22-20-12-13)24-16-8-4-5-14(10-16)18(23)21-15-6-2-1-3-7-15/h1-10,12H,(H,21,23)
InChIKeyAVNIETHOBOQBJX-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.39
Rot. Bonds4

About 3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide

3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide (PubChem CID 134340776) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide.

Molecular Properties

Compound Name3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide
PubChem CID134340776
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide
SMILESN#Cc1cnnc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C18H12N4O2/c19-11-13-9-17(22-20-12-13)24-16-8-4-5-14(10-16)18(23)21-15-6-2-1-3-7-15/h1-10,12H,(H,21,23)
InChIKeyAVNIETHOBOQBJX-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-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide?
The IUPAC name of 3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide (CID 134340776) is 3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide.
What is the SMILES notation for 3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide?
The canonical SMILES for 3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide is N#Cc1cnnc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of 3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide?
The InChIKey is AVNIETHOBOQBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c19-11-13-9-17(22-20-12-13)24-16-8-4-5-14(10-16)18(23)21-15-6-2-1-3-7-15/h1-10,12H,(H,21,23).
What are the key properties of 3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide?
3-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide 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-(5-cyanopyridazin-3-yl)oxy-N-phenylbenzamide is sourced from PubChem (CID 134340776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).