2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide

C9H12BrN3O2 — CID 144521390

IUPAC2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide
SMILESCNC(=O)c1cnc(C)cn1.O=CCBr
InChIInChI=1S/C7H9N3O.C2H3BrO/c1-5-3-10-6(4-9-5)7(11)8-2;3-1-2-4/h3-4H,1-2H3,(H,8,11);2H,1H2
InChIKeyKUYOGZCTXYLBFY-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.72
Rot. Bonds2

About 2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide

2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide (PubChem CID 144521390) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide
PubChem CID144521390
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide
SMILESCNC(=O)c1cnc(C)cn1.O=CCBr
InChIInChI=1S/C7H9N3O.C2H3BrO/c1-5-3-10-6(4-9-5)7(11)8-2;3-1-2-4/h3-4H,1-2H3,(H,8,11);2H,1H2
InChIKeyKUYOGZCTXYLBFY-UHFFFAOYSA-N
XLogP0.72
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide 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

acetaldehyde;N,5-dimethylpyrazine-2-carboxamide
CID 144521434
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 103602102
5-(bromomethyl)-N-methylpyridine-2-carboxamide
CID 166088325
N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide
CID 115612532
2-hydroxy-1-(5-methylpyrazin-2-yl)ethanone
CID 121394382
1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362499
N-(5-bromopyrazin-2-yl)-5-methylpyrazine-2-carboxamide
CID 115650022
N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
CID 66005550
2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 61263724
N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752

Frequently Asked Questions

What is the IUPAC name of 2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide?
The IUPAC name of 2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide (CID 144521390) is 2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide is CNC(=O)c1cnc(C)cn1.O=CCBr.
What is the InChIKey of 2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide?
The InChIKey is KUYOGZCTXYLBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.C2H3BrO/c1-5-3-10-6(4-9-5)7(11)8-2;3-1-2-4/h3-4H,1-2H3,(H,8,11);2H,1H2.
What are the key properties of 2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide?
2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide has a molecular weight of 274.12 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 144521390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).