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

C23H25N3O2 — CID 92735342

IUPAC(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(C)cc1C)n1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C23H25N3O2/c1-5-21(23(28)24-19-11-8-16(3)14-17(19)4)26-22(27)13-12-20(25-26)18-9-6-15(2)7-10-18/h6-14,21H,5H2,1-4H3,(H,24,28)/t21-/m0/s1
InChIKeyMTILVMVXPRWXQX-NRFANRHFSA-N
MW375.47 g/mol
LogP4.43
Rot. Bonds5

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

(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 92735342) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID92735342
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(C)cc1C)n1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C23H25N3O2/c1-5-21(23(28)24-19-11-8-16(3)14-17(19)4)26-22(27)13-12-20(25-26)18-9-6-15(2)7-10-18/h6-14,21H,5H2,1-4H3,(H,24,28)/t21-/m0/s1
InChIKeyMTILVMVXPRWXQX-NRFANRHFSA-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

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Related Compounds

(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735315
N-(2,5-difluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 43883157
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 40640795
methyl 4-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate
CID 43883154
(2S)-N-(1,3-benzodioxol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 28622913
N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 46263010
(2R)-N-(2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623427
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 25249749
2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 50745217
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7663496
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide
CID 25249810

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of (2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide (CID 92735342) is (2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for (2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for (2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide is CC[C@@H](C(=O)Nc1ccc(C)cc1C)n1nc(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of (2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is MTILVMVXPRWXQX-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-5-21(23(28)24-19-11-8-16(3)14-17(19)4)26-22(27)13-12-20(25-26)18-9-6-15(2)7-10-18/h6-14,21H,5H2,1-4H3,(H,24,28)/t21-/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
(2S)-N-(2,4-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 (2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 92735342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).