2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide

C16H13N3O3 — CID 3436360

IUPAC2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(NCc1cccnc1)C(=O)C1C(=O)Nc2ccccc21
InChIInChI=1S/C16H13N3O3/c20-14(16(22)18-9-10-4-3-7-17-8-10)13-11-5-1-2-6-12(11)19-15(13)21/h1-8,13H,9H2,(H,18,22)(H,19,21)
InChIKeyZRPHHMYBIJYELV-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.00
Rot. Bonds4

About 2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide

2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 3436360) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID3436360
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(NCc1cccnc1)C(=O)C1C(=O)Nc2ccccc21
InChIInChI=1S/C16H13N3O3/c20-14(16(22)18-9-10-4-3-7-17-8-10)13-11-5-1-2-6-12(11)19-15(13)21/h1-8,13H,9H2,(H,18,22)(H,19,21)
InChIKeyZRPHHMYBIJYELV-UHFFFAOYSA-N
XLogP1.00
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 3436360) is 2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(NCc1cccnc1)C(=O)C1C(=O)Nc2ccccc21.
What is the InChIKey of 2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ZRPHHMYBIJYELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-14(16(22)18-9-10-4-3-7-17-8-10)13-11-5-1-2-6-12(11)19-15(13)21/h1-8,13H,9H2,(H,18,22)(H,19,21).
What are the key properties of 2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 295.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 3436360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).