acetaldehyde;N,5-dimethylpyrazine-2-carboxamide

C9H13N3O2 — CID 144521434

IUPACacetaldehyde;N,5-dimethylpyrazine-2-carboxamide
SMILESCC=O.CNC(=O)c1cnc(C)cn1
InChIInChI=1S/C7H9N3O.C2H4O/c1-5-3-10-6(4-9-5)7(11)8-2;1-2-3/h3-4H,1-2H3,(H,8,11);2H,1H3
InChIKeyQJYBUJBYPPZFNB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.35
Rot. Bonds1

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

acetaldehyde;N,5-dimethylpyrazine-2-carboxamide (PubChem CID 144521434) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is acetaldehyde;N,5-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Nameacetaldehyde;N,5-dimethylpyrazine-2-carboxamide
PubChem CID144521434
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameacetaldehyde;N,5-dimethylpyrazine-2-carboxamide
SMILESCC=O.CNC(=O)c1cnc(C)cn1
InChIInChI=1S/C7H9N3O.C2H4O/c1-5-3-10-6(4-9-5)7(11)8-2;1-2-3/h3-4H,1-2H3,(H,8,11);2H,1H3
InChIKeyQJYBUJBYPPZFNB-UHFFFAOYSA-N
XLogP0.35
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetaldehyde;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

2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide
CID 144521390
(E)-1-(5-methylpyrazin-2-yl)but-2-en-1-one
CID 126657356
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 61263724
5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
CID 2677173
N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 103602102
N-(4-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 2388228
N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide
CID 115612532
1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362499
N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
CID 66005550
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N,5-dimethylpyrazine-2-carboxamide?
The IUPAC name of acetaldehyde;N,5-dimethylpyrazine-2-carboxamide (CID 144521434) is acetaldehyde;N,5-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for acetaldehyde;N,5-dimethylpyrazine-2-carboxamide?
The canonical SMILES for acetaldehyde;N,5-dimethylpyrazine-2-carboxamide is CC=O.CNC(=O)c1cnc(C)cn1.
What is the InChIKey of acetaldehyde;N,5-dimethylpyrazine-2-carboxamide?
The InChIKey is QJYBUJBYPPZFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.C2H4O/c1-5-3-10-6(4-9-5)7(11)8-2;1-2-3/h3-4H,1-2H3,(H,8,11);2H,1H3.
What are the key properties of acetaldehyde;N,5-dimethylpyrazine-2-carboxamide?
acetaldehyde;N,5-dimethylpyrazine-2-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N,5-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 144521434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).