2-oxo-N-(pyrazin-2-ylmethyl)acetamide

C7H7N3O2 — CID 90048439

IUPAC2-oxo-N-(pyrazin-2-ylmethyl)acetamide
SMILESO=CC(=O)NCc1cnccn1
InChIInChI=1S/C7H7N3O2/c11-5-7(12)10-4-6-3-8-1-2-9-6/h1-3,5H,4H2,(H,10,12)
InChIKeyBOUCYOGPUZIASG-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.71
Rot. Bonds3

About 2-oxo-N-(pyrazin-2-ylmethyl)acetamide

2-oxo-N-(pyrazin-2-ylmethyl)acetamide (PubChem CID 90048439) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-oxo-N-(pyrazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-oxo-N-(pyrazin-2-ylmethyl)acetamide
PubChem CID90048439
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2-oxo-N-(pyrazin-2-ylmethyl)acetamide
SMILESO=CC(=O)NCc1cnccn1
InChIInChI=1S/C7H7N3O2/c11-5-7(12)10-4-6-3-8-1-2-9-6/h1-3,5H,4H2,(H,10,12)
InChIKeyBOUCYOGPUZIASG-UHFFFAOYSA-N
XLogP-0.71
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
N-[2-(pyrazin-2-ylmethylamino)ethyl]acetamide
CID 62763041
4-amino-N-(pyrazin-2-ylmethyl)benzamide
CID 110476278
2-[4-(pyrazin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 62761635
1,4-di(pyrazin-2-yl)butane-2,3-dione
CID 57316761
N-benzyl-2-(pyrazin-2-ylmethylamino)acetamide
CID 62763065
N,N-dimethyl-3-(pyrazin-2-ylmethylamino)propanamide
CID 62762015
2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide
CID 62763594
3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
CID 110483781
3-bromo-N-(pyrazin-2-ylmethyl)furan-2-carboxamide
CID 171841704
2-pyrazin-2-ylacetic acid
CID 19797048
2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine
CID 115405977

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(pyrazin-2-ylmethyl)acetamide?
The IUPAC name of 2-oxo-N-(pyrazin-2-ylmethyl)acetamide (CID 90048439) is 2-oxo-N-(pyrazin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-oxo-N-(pyrazin-2-ylmethyl)acetamide?
The canonical SMILES for 2-oxo-N-(pyrazin-2-ylmethyl)acetamide is O=CC(=O)NCc1cnccn1.
What is the InChIKey of 2-oxo-N-(pyrazin-2-ylmethyl)acetamide?
The InChIKey is BOUCYOGPUZIASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c11-5-7(12)10-4-6-3-8-1-2-9-6/h1-3,5H,4H2,(H,10,12).
What are the key properties of 2-oxo-N-(pyrazin-2-ylmethyl)acetamide?
2-oxo-N-(pyrazin-2-ylmethyl)acetamide has a molecular weight of 165.15 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 90048439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).