2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide

C22H17FN4O3 — CID 118560694

IUPAC2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3ccccc3F)nn2)c2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C22H17FN4O3/c1-12-9-13(20-15(10-12)21(29)27(2)22(20)30)11-19(28)24-18-8-7-17(25-26-18)14-5-3-4-6-16(14)23/h3-10H,11H2,1-2H3,(H,24,26,28)
InChIKeyDIYDKOKSVPRQSK-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.00
Rot. Bonds4

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

2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide (PubChem CID 118560694) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide
PubChem CID118560694
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3ccccc3F)nn2)c2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C22H17FN4O3/c1-12-9-13(20-15(10-12)21(29)27(2)22(20)30)11-19(28)24-18-8-7-17(25-26-18)14-5-3-4-6-16(14)23/h3-10H,11H2,1-2H3,(H,24,26,28)
InChIKeyDIYDKOKSVPRQSK-UHFFFAOYSA-N
XLogP3.00
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.00
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-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide
CID 118560825
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 118560683
2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118567309
2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide
CID 118567322
N-[6-(2-fluorophenyl)pyridazin-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 167957492
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
2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide
CID 118560849
2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118567306
N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113042536
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(2-methylphenyl)pyridazin-3-yl]acetamide
CID 118174207
N-[6-(2-hydroxyphenyl)pyridazin-3-yl]acetamide
CID 137045892

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide (CID 118560694) is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide is Cc1cc(CC(=O)Nc2ccc(-c3ccccc3F)nn2)c2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide?
The InChIKey is DIYDKOKSVPRQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-12-9-13(20-15(10-12)21(29)27(2)22(20)30)11-19(28)24-18-8-7-17(25-26-18)14-5-3-4-6-16(14)23/h3-10H,11H2,1-2H3,(H,24,26,28).
What are the key properties of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide?
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide has a molecular weight of 404.40 g/mol, XLogP of 3.00, 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-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 118560694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).