4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide

C25H21N3O2 — CID 2031982

IUPAC4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2c(-c3ccccc3)c(=O)c(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C25H21N3O2/c1-17-13-15-20(16-14-17)25(30)26-24-22(19-9-5-3-6-10-19)23(29)18(2)27-28(24)21-11-7-4-8-12-21/h3-16H,1-2H3,(H,26,30)
InChIKeyKXOOMKQCLWWUCC-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.77
Rot. Bonds4

About 4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide

4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide (PubChem CID 2031982) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide
PubChem CID2031982
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2c(-c3ccccc3)c(=O)c(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C25H21N3O2/c1-17-13-15-20(16-14-17)25(30)26-24-22(19-9-5-3-6-10-19)23(29)18(2)27-28(24)21-11-7-4-8-12-21/h3-16H,1-2H3,(H,26,30)
InChIKeyKXOOMKQCLWWUCC-UHFFFAOYSA-N
XLogP4.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
CID 2035296
N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide
CID 2035531
N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
CID 2030297
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-pyridin-2-ylbenzamide
CID 46334892
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-benzylbenzamide
CID 46334888
N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033226
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-phenylbenzamide
CID 46334913
4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide
CID 51699804
4-methyl-N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4656985
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 20934582
4-tert-butyl-N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3925295
N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033424

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide (CID 2031982) is 4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide is Cc1ccc(C(=O)Nc2c(-c3ccccc3)c(=O)c(C)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide?
The InChIKey is KXOOMKQCLWWUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-17-13-15-20(16-14-17)25(30)26-24-22(19-9-5-3-6-10-19)23(29)18(2)27-28(24)21-11-7-4-8-12-21/h3-16H,1-2H3,(H,26,30).
What are the key properties of 4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide?
4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide has a molecular weight of 395.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide is sourced from PubChem (CID 2031982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).