2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide

C22H18N4O3 — CID 118567309

IUPAC2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(-c3ccccc3)nn2)c2c1C(=O)N(C)C2=O
InChIInChI=1S/C22H18N4O3/c1-13-8-9-15(20-19(13)21(28)26(2)22(20)29)12-18(27)23-17-11-10-16(24-25-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,23,25,27)
InChIKeyBCLSADLEBOPBHH-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.86
Rot. Bonds4

About 2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide

2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide (PubChem CID 118567309) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
PubChem CID118567309
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(-c3ccccc3)nn2)c2c1C(=O)N(C)C2=O
InChIInChI=1S/C22H18N4O3/c1-13-8-9-15(20-19(13)21(28)26(2)22(20)29)12-18(27)23-17-11-10-16(24-25-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,23,25,27)
InChIKeyBCLSADLEBOPBHH-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-(1,3-dioxo-2-phenylisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118567306
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
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-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide
CID 118560825
4-methyl-N-(6-phenylpyridazin-3-yl)pyridine-3-carboxamide
CID 167955003
2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide
CID 71920781
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-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 118560683
11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide
CID 59097967
1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea
CID 122143487
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113042675
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide
CID 118560768

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide (CID 118567309) is 2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide is Cc1ccc(CC(=O)Nc2ccc(-c3ccccc3)nn2)c2c1C(=O)N(C)C2=O.
What is the InChIKey of 2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide?
The InChIKey is BCLSADLEBOPBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-13-8-9-15(20-19(13)21(28)26(2)22(20)29)12-18(27)23-17-11-10-16(24-25-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,23,25,27).
What are the key properties of 2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide?
2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)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-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide is sourced from PubChem (CID 118567309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).