2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide

C26H18N4O3 — CID 118567306

IUPAC2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
SMILESO=C(Cc1cccc2c1C(=O)N(c1ccccc1)C2=O)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C26H18N4O3/c31-23(27-22-15-14-21(28-29-22)17-8-3-1-4-9-17)16-18-10-7-13-20-24(18)26(33)30(25(20)32)19-11-5-2-6-12-19/h1-15H,16H2,(H,27,29,31)
InChIKeyASGFYEQWVFKEBC-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.13
Rot. Bonds5

About 2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide

2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide (PubChem CID 118567306) has the molecular formula C26H18N4O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
PubChem CID118567306
Molecular FormulaC26H18N4O3
Molecular Weight434.46 g/mol
Exact Mass434.14
IUPAC Name2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
SMILESO=C(Cc1cccc2c1C(=O)N(c1ccccc1)C2=O)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C26H18N4O3/c31-23(27-22-15-14-21(28-29-22)17-8-3-1-4-9-17)16-18-10-7-13-20-24(18)26(33)30(25(20)32)19-11-5-2-6-12-19/h1-15H,16H2,(H,27,29,31)
InChIKeyASGFYEQWVFKEBC-UHFFFAOYSA-N
XLogP4.13
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.13
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-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118567309
N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide
CID 1041271
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide
CID 118560694
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
N-(1,3-dioxo-2-phenylisoindol-4-yl)-2,2-dimethylpropanamide
CID 960391
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide
CID 118560825
1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea
CID 71920383
N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide
CID 1026126
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide
CID 113082993
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 66491232
2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide
CID 118567322

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide (CID 118567306) is 2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide is O=C(Cc1cccc2c1C(=O)N(c1ccccc1)C2=O)Nc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide?
The InChIKey is ASGFYEQWVFKEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O3/c31-23(27-22-15-14-21(28-29-22)17-8-3-1-4-9-17)16-18-10-7-13-20-24(18)26(33)30(25(20)32)19-11-5-2-6-12-19/h1-15H,16H2,(H,27,29,31).
What are the key properties of 2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide?
2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide has a molecular weight of 434.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide is sourced from PubChem (CID 118567306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).