2-(3-formyl-2-oxo-1-pyridinyl)acetamide

C8H8N2O3 — CID 82409228

IUPAC2-(3-formyl-2-oxo-1-pyridinyl)acetamide
SMILESNC(=O)Cn1cccc(C=O)c1=O
InChIInChI=1S/C8H8N2O3/c9-7(12)4-10-3-1-2-6(5-11)8(10)13/h1-3,5H,4H2,(H2,9,12)
InChIKeySOSBLYSRGCRGSA-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.85
Rot. Bonds3

About 2-(3-formyl-2-oxo-1-pyridinyl)acetamide

2-(3-formyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 82409228) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-(3-formyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-formyl-2-oxo-1-pyridinyl)acetamide
PubChem CID82409228
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-(3-formyl-2-oxo-1-pyridinyl)acetamide
SMILESNC(=O)Cn1cccc(C=O)c1=O
InChIInChI=1S/C8H8N2O3/c9-7(12)4-10-3-1-2-6(5-11)8(10)13/h1-3,5H,4H2,(H2,9,12)
InChIKeySOSBLYSRGCRGSA-UHFFFAOYSA-N
XLogP-0.85
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-formyl-2-oxo-1-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-formyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of 2-(3-formyl-2-oxo-1-pyridinyl)acetamide (CID 82409228) is 2-(3-formyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-formyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for 2-(3-formyl-2-oxo-1-pyridinyl)acetamide is NC(=O)Cn1cccc(C=O)c1=O.
What is the InChIKey of 2-(3-formyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is SOSBLYSRGCRGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-7(12)4-10-3-1-2-6(5-11)8(10)13/h1-3,5H,4H2,(H2,9,12).
What are the key properties of 2-(3-formyl-2-oxo-1-pyridinyl)acetamide?
2-(3-formyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 180.16 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 82409228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).