2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide

C24H27N3O2 — CID 25249810

IUPAC2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide
SMILESCCc1cccc(NC(=O)C(CC)n2nc(-c3cc(C)ccc3C)ccc2=O)c1
InChIInChI=1S/C24H27N3O2/c1-5-18-8-7-9-19(15-18)25-24(29)22(6-2)27-23(28)13-12-21(26-27)20-14-16(3)10-11-17(20)4/h7-15,22H,5-6H2,1-4H3,(H,25,29)
InChIKeyQJCAPCLBBWOQEB-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.68
Rot. Bonds6

About 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide

2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide (PubChem CID 25249810) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide.

Molecular Properties

Compound Name2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide
PubChem CID25249810
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide
SMILESCCc1cccc(NC(=O)C(CC)n2nc(-c3cc(C)ccc3C)ccc2=O)c1
InChIInChI=1S/C24H27N3O2/c1-5-18-8-7-9-19(15-18)25-24(29)22(6-2)27-23(28)13-12-21(26-27)20-14-16(3)10-11-17(20)4/h7-15,22H,5-6H2,1-4H3,(H,25,29)
InChIKeyQJCAPCLBBWOQEB-UHFFFAOYSA-N
XLogP4.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 46263010
methyl (2S)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7672051
2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 50745217
(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735342
(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735315
methyl 4-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate
CID 43883154
(2R)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 28623322
(2S)-N-(1,3-benzodioxol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 28622913
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 5064719
ethyl (2S)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7665828
(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623281
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 25249770

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide?
The IUPAC name of 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide (CID 25249810) is 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide.
What is the SMILES notation for 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide?
The canonical SMILES for 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide is CCc1cccc(NC(=O)C(CC)n2nc(-c3cc(C)ccc3C)ccc2=O)c1.
What is the InChIKey of 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide?
The InChIKey is QJCAPCLBBWOQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-5-18-8-7-9-19(15-18)25-24(29)22(6-2)27-23(28)13-12-21(26-27)20-14-16(3)10-11-17(20)4/h7-15,22H,5-6H2,1-4H3,(H,25,29).
What are the key properties of 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide?
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide has a molecular weight of 389.50 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide is sourced from PubChem (CID 25249810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).