2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide

C21H20N4O3 — CID 118174109

IUPAC2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide
SMILESCN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccn3)cc1)CCC2
InChIInChI=1S/C21H20N4O3/c1-24-20(27)16-5-4-12-25(19(16)21(24)28)13-18(26)23-15-9-7-14(8-10-15)17-6-2-3-11-22-17/h2-3,6-11H,4-5,12-13H2,1H3,(H,23,26)
InChIKeySWGBWIDXEWSWMQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.04
Rot. Bonds4

About 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide

2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 118174109) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide
PubChem CID118174109
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide
SMILESCN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccn3)cc1)CCC2
InChIInChI=1S/C21H20N4O3/c1-24-20(27)16-5-4-12-25(19(16)21(24)28)13-18(26)23-15-9-7-14(8-10-15)17-6-2-3-11-22-17/h2-3,6-11H,4-5,12-13H2,1H3,(H,23,26)
InChIKeySWGBWIDXEWSWMQ-UHFFFAOYSA-N
XLogP2.04
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.04
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-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 122652940
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide
CID 118174114
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenylpyrazin-2-yl)acetamide
CID 118174103
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide
CID 118174120
ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide
CID 144869172
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-[(3E)-hexa-1,3,5-trien-3-yl]-3-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
CID 144869224
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
CID 118174168
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-methyl-5-pyridin-3-ylpyrazin-2-yl)acetamide
CID 118183089
2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 144869142
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(2-methyl-3-pyridin-3-yl-1,2-dihydropyridin-6-yl)acetamide
CID 118183186
2-methoxy-N-(4-pyridin-2-ylphenyl)acetamide
CID 110460506

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide?
The IUPAC name of 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide (CID 118174109) is 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide is CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccn3)cc1)CCC2.
What is the InChIKey of 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide?
The InChIKey is SWGBWIDXEWSWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-24-20(27)16-5-4-12-25(19(16)21(24)28)13-18(26)23-15-9-7-14(8-10-15)17-6-2-3-11-22-17/h2-3,6-11H,4-5,12-13H2,1H3,(H,23,26).
What are the key properties of 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide?
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 118174109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).