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

C25H28N4O4 — CID 16800085

IUPAC3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1OCC
InChIInChI=1S/C25H28N4O4/c1-3-32-22-10-8-19(17-23(22)33-4-2)25(30)26-20-7-5-6-18(16-20)21-9-11-24(28-27-21)29-12-14-31-15-13-29/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,26,30)
InChIKeyQGANTHPEWBVXAR-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.03
Rot. Bonds8

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

3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 16800085) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID16800085
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1OCC
InChIInChI=1S/C25H28N4O4/c1-3-32-22-10-8-19(17-23(22)33-4-2)25(30)26-20-7-5-6-18(16-20)21-9-11-24(28-27-21)29-12-14-31-15-13-29/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,26,30)
InChIKeyQGANTHPEWBVXAR-UHFFFAOYSA-N
XLogP4.03
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 16800085) is 3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is QGANTHPEWBVXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-3-32-22-10-8-19(17-23(22)33-4-2)25(30)26-20-7-5-6-18(16-20)21-9-11-24(28-27-21)29-12-14-31-15-13-29/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,26,30).
What are the key properties of 3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 448.52 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 16800085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).