About 6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide
6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide (PubChem CID 133445878) has the molecular formula C10H16N4O2
and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide.
Molecular Properties
| Compound Name | 6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide |
| PubChem CID | 133445878 |
| Molecular Formula | C10H16N4O2 |
| Molecular Weight | 224.26 g/mol |
| Exact Mass | 224.13 |
| IUPAC Name | 6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide |
| SMILES | CCOCCN(C)c1cncc(C(N)=O)n1 |
| InChI | InChI=1S/C10H16N4O2/c1-3-16-5-4-14(2)9-7-12-6-8(13-9)10(11)15/h6-7H,3-5H2,1-2H3,(H2,11,15) |
| InChIKey | XEWGBBYTEFERBA-UHFFFAOYSA-N |
| XLogP | 0.05 |
| TPSA | 81.34 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 224.26 |
| LogP ≤ 5 | 0.05 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide?
The IUPAC name of 6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide (CID 133445878) is 6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide is CCOCCN(C)c1cncc(C(N)=O)n1.
What is the InChIKey of 6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide?
The InChIKey is XEWGBBYTEFERBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-16-5-4-14(2)9-7-12-6-8(13-9)10(11)15/h6-7H,3-5H2,1-2H3,(H2,11,15).
What are the key properties of 6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide?
6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 133445878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).