3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide

C25H21N3O4 — CID 46387049

IUPAC3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(-c3ccc(Oc4ccccc4OC)nn3)c2)c1
InChIInChI=1S/C25H21N3O4/c1-30-20-10-6-9-19(16-20)26-25(29)18-8-5-7-17(15-18)21-13-14-24(28-27-21)32-23-12-4-3-11-22(23)31-2/h3-16H,1-2H3,(H,26,29)
InChIKeyGJRNSRGTULOGGZ-UHFFFAOYSA-N
MW427.46 g/mol
LogP5.21
Rot. Bonds7

About 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide

3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide (PubChem CID 46387049) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide
PubChem CID46387049
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(-c3ccc(Oc4ccccc4OC)nn3)c2)c1
InChIInChI=1S/C25H21N3O4/c1-30-20-10-6-9-19(16-20)26-25(29)18-8-5-7-17(15-18)21-13-14-24(28-27-21)32-23-12-4-3-11-22(23)31-2/h3-16H,1-2H3,(H,26,29)
InChIKeyGJRNSRGTULOGGZ-UHFFFAOYSA-N
XLogP5.21
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 46387069
N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387034
4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7422514
N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322365
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387014
3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593494
N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide
CID 7422510
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089364
3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide
CID 46387077

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide (CID 46387049) is 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2cccc(-c3ccc(Oc4ccccc4OC)nn3)c2)c1.
What is the InChIKey of 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is GJRNSRGTULOGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-30-20-10-6-9-19(16-20)26-25(29)18-8-5-7-17(15-18)21-13-14-24(28-27-21)32-23-12-4-3-11-22(23)31-2/h3-16H,1-2H3,(H,26,29).
What are the key properties of 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide?
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 427.46 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 46387049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).