2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide

C22H17N3O3 — CID 155534164

IUPAC2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCc1cccc2c1C(=O)N(CC(=O)Nc1ccc(-c3ccccc3)cn1)C2=O
InChIInChI=1S/C22H17N3O3/c1-14-6-5-9-17-20(14)22(28)25(21(17)27)13-19(26)24-18-11-10-16(12-23-18)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,23,24,26)
InChIKeyUGEMWOFCFMBFTA-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.29
Rot. Bonds4

About 2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide

2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide (PubChem CID 155534164) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide
PubChem CID155534164
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCc1cccc2c1C(=O)N(CC(=O)Nc1ccc(-c3ccccc3)cn1)C2=O
InChIInChI=1S/C22H17N3O3/c1-14-6-5-9-17-20(14)22(28)25(21(17)27)13-19(26)24-18-11-10-16(12-23-18)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,23,24,26)
InChIKeyUGEMWOFCFMBFTA-UHFFFAOYSA-N
XLogP3.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide (CID 155534164) is 2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide is Cc1cccc2c1C(=O)N(CC(=O)Nc1ccc(-c3ccccc3)cn1)C2=O.
What is the InChIKey of 2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide?
The InChIKey is UGEMWOFCFMBFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-14-6-5-9-17-20(14)22(28)25(21(17)27)13-19(26)24-18-11-10-16(12-23-18)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,23,24,26).
What are the key properties of 2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide?
2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 155534164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).