2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide

C9H8BrN3O2 — CID 114761020

IUPAC2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cn1cccc(Br)c1=O
InChIInChI=1S/C9H8BrN3O2/c10-7-2-1-5-13(9(7)15)6-8(14)12-4-3-11/h1-2,5H,4,6H2,(H,12,14)
InChIKeySSKLZLOJTMRTCF-UHFFFAOYSA-N
MW270.09 g/mol
LogP0.25
Rot. Bonds3

About 2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide

2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide (PubChem CID 114761020) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide
PubChem CID114761020
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cn1cccc(Br)c1=O
InChIInChI=1S/C9H8BrN3O2/c10-7-2-1-5-13(9(7)15)6-8(14)12-4-3-11/h1-2,5H,4,6H2,(H,12,14)
InChIKeySSKLZLOJTMRTCF-UHFFFAOYSA-N
XLogP0.25
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
CID 114761115
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 66309570
2-(3-bromo-2-oxo-1-pyridinyl)-N-(2-methylphenyl)acetamide
CID 114760909
N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 116621485
1-[2-(cyanomethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82898006
3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one
CID 106439742
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
CID 114760013
N-ethyl-2-(3-hydroxy-2-oxo-1-pyridinyl)acetamide
CID 13336730
3-bromo-1-(iodomethyl)pyridin-2-one
CID 172778363
N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679462
2-[(2-bromophenyl)methylamino]-N-(cyanomethyl)acetamide
CID 61401918

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide (CID 114761020) is 2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide is N#CCNC(=O)Cn1cccc(Br)c1=O.
What is the InChIKey of 2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide?
The InChIKey is SSKLZLOJTMRTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c10-7-2-1-5-13(9(7)15)6-8(14)12-4-3-11/h1-2,5H,4,6H2,(H,12,14).
What are the key properties of 2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide?
2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide has a molecular weight of 270.09 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 114761020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).