(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide

C24H25ClN4O3 — CID 94086831

IUPAC(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide
SMILESCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@@H](C)C(=O)Nc2cccc(C)c2C)c1=O
InChIInChI=1S/C24H25ClN4O3/c1-5-22(30)26-21-13-20(17-9-11-18(25)12-10-17)28-29(24(21)32)16(4)23(31)27-19-8-6-7-14(2)15(19)3/h6-13,16H,5H2,1-4H3,(H,26,30)(H,27,31)/t16-/m0/s1
InChIKeyCLAMOSWHUHSKPU-INIZCTEOSA-N
MW452.94 g/mol
LogP4.73
Rot. Bonds6

About (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide

(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide (PubChem CID 94086831) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide
PubChem CID94086831
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide
SMILESCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@@H](C)C(=O)Nc2cccc(C)c2C)c1=O
InChIInChI=1S/C24H25ClN4O3/c1-5-22(30)26-21-13-20(17-9-11-18(25)12-10-17)28-29(24(21)32)16(4)23(31)27-19-8-6-7-14(2)15(19)3/h6-13,16H,5H2,1-4H3,(H,26,30)(H,27,31)/t16-/m0/s1
InChIKeyCLAMOSWHUHSKPU-INIZCTEOSA-N
XLogP4.73
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide 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)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide
CID 94069808
(2S)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 92902750
(2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27261745
(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735315
N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 50744781
2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 20877405
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868310
(2S)-2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 95054473
N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730
(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27262351

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide (CID 94086831) is (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide is CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@@H](C)C(=O)Nc2cccc(C)c2C)c1=O.
What is the InChIKey of (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is CLAMOSWHUHSKPU-INIZCTEOSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-5-22(30)26-21-13-20(17-9-11-18(25)12-10-17)28-29(24(21)32)16(4)23(31)27-19-8-6-7-14(2)15(19)3/h6-13,16H,5H2,1-4H3,(H,26,30)(H,27,31)/t16-/m0/s1.
What are the key properties of (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide?
(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 452.94 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 94086831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).