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

C22H22N4O3 — CID 7422448

IUPAC3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1
InChIInChI=1S/C22H22N4O3/c1-28-19-7-3-5-17(15-19)22(27)23-18-6-2-4-16(14-18)20-8-9-21(25-24-20)26-10-12-29-13-11-26/h2-9,14-15H,10-13H2,1H3,(H,23,27)
InChIKeyWRDIIXSJLZOTDR-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.24
Rot. Bonds5

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

3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7422448) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7422448
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1
InChIInChI=1S/C22H22N4O3/c1-28-19-7-3-5-17(15-19)22(27)23-18-6-2-4-16(14-18)20-8-9-21(25-24-20)26-10-12-29-13-11-26/h2-9,14-15H,10-13H2,1H3,(H,23,27)
InChIKeyWRDIIXSJLZOTDR-UHFFFAOYSA-N
XLogP3.24
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide
CID 7422386
1-{3-[6-(2-Methoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-ethanone
CID 644406
N-Cyclopropyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-benzamide
CID 646176
{4-[6-(2-Methoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-morpholin-4-yl-methanone
CID 6411210
N-Cyclohexyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-N-methyl-benzamide
CID 6411222
(3-Methoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292475
(3,5-Dimethoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292479
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide
CID 7422382
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide
CID 7422442
4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422449
2,3-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422451
3,4-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422452

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 7422448) is 3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is WRDIIXSJLZOTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-28-19-7-3-5-17(15-19)22(27)23-18-6-2-4-16(14-18)20-8-9-21(25-24-20)26-10-12-29-13-11-26/h2-9,14-15H,10-13H2,1H3,(H,23,27).
What are the key properties of 3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7422448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).