(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide

C23H25N3O2 — CID 92735315

IUPAC(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCC[C@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C23H25N3O2/c1-5-21(23(28)24-19-8-6-7-16(3)17(19)4)26-22(27)14-13-20(25-26)18-11-9-15(2)10-12-18/h6-14,21H,5H2,1-4H3,(H,24,28)/t21-/m1/s1
InChIKeyXLXUMQUOPKLNAL-OAQYLSRUSA-N
MW375.47 g/mol
LogP4.43
Rot. Bonds5

About (2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide

(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 92735315) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID92735315
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCC[C@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C23H25N3O2/c1-5-21(23(28)24-19-8-6-7-16(3)17(19)4)26-22(27)14-13-20(25-26)18-11-9-15(2)10-12-18/h6-14,21H,5H2,1-4H3,(H,24,28)/t21-/m1/s1
InChIKeyXLXUMQUOPKLNAL-OAQYLSRUSA-N
XLogP4.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735342
N-(2,5-difluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 43883157
N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 40640795
N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 46263010
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 25249782
(2S)-N-(1,3-benzodioxol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 28622913
(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide
CID 94086831
N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 25249749
(2R)-N-(2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623427

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of (2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide (CID 92735315) is (2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for (2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for (2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide is CC[C@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of (2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is XLXUMQUOPKLNAL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-5-21(23(28)24-19-8-6-7-16(3)17(19)4)26-22(27)14-13-20(25-26)18-11-9-15(2)10-12-18/h6-14,21H,5H2,1-4H3,(H,24,28)/t21-/m1/s1.
What are the key properties of (2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 375.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 92735315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).