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

C22H22N4O2 — CID 7422445

IUPAC2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C22H22N4O2/c1-16-5-2-3-8-19(16)22(27)23-18-7-4-6-17(15-18)20-9-10-21(25-24-20)26-11-13-28-14-12-26/h2-10,15H,11-14H2,1H3,(H,23,27)
InChIKeyLMSZIFYQASDBLD-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.54
Rot. Bonds4

About 2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide

2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7422445) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7422445
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C22H22N4O2/c1-16-5-2-3-8-19(16)22(27)23-18-7-4-6-17(15-18)20-9-10-21(25-24-20)26-11-13-28-14-12-26/h2-10,15H,11-14H2,1H3,(H,23,27)
InChIKeyLMSZIFYQASDBLD-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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Related Compounds

N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422380
N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide
CID 656150
Mlkl-IN-2
CID 7593182
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-OXO-2-PHENYLETHYL)AMIDE
CID 11670502
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Pentylamide
CID 11698083
N-phenethyl-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 16035660
6-[4-(2-TRIFLUOROMETHYLBENZOYL)-PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-PHENYLPROPYL)AMIDE
CID 16035762
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-METHYLBUTYL)AMIDE
CID 16035765
6-(4-(2-(Trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 45487369
(r)-(3-Methyl-4-(4-(4-morpholinophenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 49862221
N-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66849498
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-PHENYLPROPYL)AMIDE
CID 67011239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 7422445) is 2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of 2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is LMSZIFYQASDBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-5-2-3-8-19(16)22(27)23-18-7-4-6-17(15-18)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 2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
2-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 2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7422445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).