2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide

C22H18N4O3 — CID 118560683

IUPAC2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3ccccn3)cn2)c2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C22H18N4O3/c1-13-9-15(20-16(10-13)21(28)26(2)22(20)29)11-19(27)25-18-7-6-14(12-24-18)17-5-3-4-8-23-17/h3-10,12H,11H2,1-2H3,(H,24,25,27)
InChIKeyMFSXEQOHBVTJMF-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.86
Rot. Bonds4

About 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide

2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide (PubChem CID 118560683) 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-(5-pyridin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
PubChem CID118560683
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3ccccn3)cn2)c2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C22H18N4O3/c1-13-9-15(20-16(10-13)21(28)26(2)22(20)29)11-19(27)25-18-7-6-14(12-24-18)17-5-3-4-8-23-17/h3-10,12H,11H2,1-2H3,(H,24,25,27)
InChIKeyMFSXEQOHBVTJMF-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-(4-pyridazin-3-ylphenyl)acetamide
CID 118560768
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
2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide
CID 118560643
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide
CID 118560849
2-[3-(1,1-difluoroethyl)-4-(3-methylphenyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 91447269
2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 90988265
2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide
CID 118567322
2-[4-(4-ethyl-6-methylcyclohepta-1,3,6-trien-1-yl)-3-methylphenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 91341916
2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 58447863
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-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide (CID 118560683) is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide is Cc1cc(CC(=O)Nc2ccc(-c3ccccn3)cn2)c2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
The InChIKey is MFSXEQOHBVTJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-13-9-15(20-16(10-13)21(28)26(2)22(20)29)11-19(27)25-18-7-6-14(12-24-18)17-5-3-4-8-23-17/h3-10,12H,11H2,1-2H3,(H,24,25,27).
What are the key properties of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)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-(5-pyridin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 118560683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).