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

C26H23N3O4 — CID 46387069

IUPAC3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(-c3ccc(Oc4ccccc4OC)nn3)c2)c1
InChIInChI=1S/C26H23N3O4/c1-31-21-10-5-7-18(15-21)17-27-26(30)20-9-6-8-19(16-20)22-13-14-25(29-28-22)33-24-12-4-3-11-23(24)32-2/h3-16H,17H2,1-2H3,(H,27,30)
InChIKeyWNIFUCXGHQFCKZ-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.88
Rot. Bonds8

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

3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 46387069) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID46387069
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(-c3ccc(Oc4ccccc4OC)nn3)c2)c1
InChIInChI=1S/C26H23N3O4/c1-31-21-10-5-7-18(15-21)17-27-26(30)20-9-6-8-19(16-20)22-13-14-25(29-28-22)33-24-12-4-3-11-23(24)32-2/h3-16H,17H2,1-2H3,(H,27,30)
InChIKeyWNIFUCXGHQFCKZ-UHFFFAOYSA-N
XLogP4.88
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide
CID 46387049
N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387034
3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide
CID 46387077
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882471
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53011044
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46386955
3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
CID 134802663
N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116901

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide (CID 46387069) is 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2cccc(-c3ccc(Oc4ccccc4OC)nn3)c2)c1.
What is the InChIKey of 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is WNIFUCXGHQFCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-31-21-10-5-7-18(15-21)17-27-26(30)20-9-6-8-19(16-20)22-13-14-25(29-28-22)33-24-12-4-3-11-23(24)32-2/h3-16H,17H2,1-2H3,(H,27,30).
What are the key properties of 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 441.49 g/mol, XLogP of 4.88, 8 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)methyl]benzamide is sourced from PubChem (CID 46387069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).