2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide

C22H18N4O3 — CID 118560768

IUPAC2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cccnn3)cc2)c2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C22H18N4O3/c1-13-10-15(20-17(11-13)21(28)26(2)22(20)29)12-19(27)24-16-7-5-14(6-8-16)18-4-3-9-23-25-18/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyGSNUAWRSFWJZST-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.86
Rot. Bonds4

About 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide

2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide (PubChem CID 118560768) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide
PubChem CID118560768
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cccnn3)cc2)c2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C22H18N4O3/c1-13-10-15(20-17(11-13)21(28)26(2)22(20)29)12-19(27)24-16-7-5-14(6-8-16)18-4-3-9-23-25-18/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyGSNUAWRSFWJZST-UHFFFAOYSA-N
XLogP2.86
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 118560683
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide
CID 118560825
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide
CID 118560694
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide
CID 118560849
2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide
CID 118567322
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen
CID 144972386
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(4-pyridazin-3-ylphenyl)butanamide
CID 118165405
2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999
2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118567309
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 171706171

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide (CID 118560768) is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide is Cc1cc(CC(=O)Nc2ccc(-c3cccnn3)cc2)c2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide?
The InChIKey is GSNUAWRSFWJZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-13-10-15(20-17(11-13)21(28)26(2)22(20)29)12-19(27)24-16-7-5-14(6-8-16)18-4-3-9-23-25-18/h3-11H,12H2,1-2H3,(H,24,27).
What are the key properties of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide?
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide has a molecular weight of 386.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide is sourced from PubChem (CID 118560768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).