3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide

C23H24N4O4 — CID 7422452

IUPAC3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1OC
InChIInChI=1S/C23H24N4O4/c1-29-20-8-6-17(15-21(20)30-2)23(28)24-18-5-3-4-16(14-18)19-7-9-22(26-25-19)27-10-12-31-13-11-27/h3-9,14-15H,10-13H2,1-2H3,(H,24,28)
InChIKeyHFIIUFJRCMTOQM-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.25
Rot. Bonds6

About 3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide

3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7422452) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7422452
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1OC
InChIInChI=1S/C23H24N4O4/c1-29-20-8-6-17(15-21(20)30-2)23(28)24-18-5-3-4-16(14-18)19-7-9-22(26-25-19)27-10-12-31-13-11-27/h3-9,14-15H,10-13H2,1-2H3,(H,24,28)
InChIKeyHFIIUFJRCMTOQM-UHFFFAOYSA-N
XLogP3.25
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 7422452) is 3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is HFIIUFJRCMTOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-29-20-8-6-17(15-21(20)30-2)23(28)24-18-5-3-4-16(14-18)19-7-9-22(26-25-19)27-10-12-31-13-11-27/h3-9,14-15H,10-13H2,1-2H3,(H,24,28).
What are the key properties of 3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 420.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7422452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).