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

C22H22N4O3 — CID 7422449

IUPAC4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1
InChIInChI=1S/C22H22N4O3/c1-28-19-7-5-16(6-8-19)22(27)23-18-4-2-3-17(15-18)20-9-10-21(25-24-20)26-11-13-29-14-12-26/h2-10,15H,11-14H2,1H3,(H,23,27)
InChIKeyPKHUPYSEEXKPHA-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.24
Rot. Bonds5

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

4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7422449) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7422449
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1
InChIInChI=1S/C22H22N4O3/c1-28-19-7-5-16(6-8-19)22(27)23-18-4-2-3-17(15-18)20-9-10-21(25-24-20)26-11-13-29-14-12-26/h2-10,15H,11-14H2,1H3,(H,23,27)
InChIKeyPKHUPYSEEXKPHA-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 7422449) is 4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is PKHUPYSEEXKPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-28-19-7-5-16(6-8-19)22(27)23-18-4-2-3-17(15-18)20-9-10-21(25-24-20)26-11-13-29-14-12-26/h2-10,15H,11-14H2,1H3,(H,23,27).
What are the key properties of 4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
4-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 4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7422449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).