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

C22H22N4O2 — CID 7422446

IUPAC4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1
InChIInChI=1S/C22H22N4O2/c1-16-5-7-17(8-6-16)22(27)23-19-4-2-3-18(15-19)20-9-10-21(25-24-20)26-11-13-28-14-12-26/h2-10,15H,11-14H2,1H3,(H,23,27)
InChIKeyMFPKYXVYMLGWLI-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.54
Rot. Bonds4

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

4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7422446) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7422446
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1
InChIInChI=1S/C22H22N4O2/c1-16-5-7-17(8-6-16)22(27)23-19-4-2-3-18(15-19)20-9-10-21(25-24-20)26-11-13-28-14-12-26/h2-10,15H,11-14H2,1H3,(H,23,27)
InChIKeyMFPKYXVYMLGWLI-UHFFFAOYSA-N
XLogP3.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 7422446) is 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is MFPKYXVYMLGWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-5-7-17(8-6-16)22(27)23-19-4-2-3-18(15-19)20-9-10-21(25-24-20)26-11-13-28-14-12-26/h2-10,15H,11-14H2,1H3,(H,23,27).
What are the key properties of 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7422446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).