2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide

C17H17N3O4 — CID 53276826

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(CC3)C2C1=O)Nc1ncccc1O
InChIInChI=1S/C17H17N3O4/c21-11-2-1-7-18-15(11)19-12(22)8-20-16(23)13-9-3-4-10(6-5-9)14(13)17(20)24/h1-4,7,9-10,13-14,21H,5-6,8H2,(H,18,19,22)
InChIKeySAKBLQDPMBVBMG-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.92
Rot. Bonds3

About 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide

2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide (PubChem CID 53276826) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide
PubChem CID53276826
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(CC3)C2C1=O)Nc1ncccc1O
InChIInChI=1S/C17H17N3O4/c21-11-2-1-7-18-15(11)19-12(22)8-20-16(23)13-9-3-4-10(6-5-9)14(13)17(20)24/h1-4,7,9-10,13-14,21H,5-6,8H2,(H,18,19,22)
InChIKeySAKBLQDPMBVBMG-UHFFFAOYSA-N
XLogP0.92
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide (CID 53276826) is 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide is O=C(CN1C(=O)C2C3C=CC(CC3)C2C1=O)Nc1ncccc1O.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide?
The InChIKey is SAKBLQDPMBVBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-11-2-1-7-18-15(11)19-12(22)8-20-16(23)13-9-3-4-10(6-5-9)14(13)17(20)24/h1-4,7,9-10,13-14,21H,5-6,8H2,(H,18,19,22).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide?
2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide is sourced from PubChem (CID 53276826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).