About 5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide
5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide (PubChem CID 109286874) has the molecular formula C16H20N4O
and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide.
Molecular Properties
| Compound Name | 5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide |
| PubChem CID | 109286874 |
| Molecular Formula | C16H20N4O |
| Molecular Weight | 284.36 g/mol |
| Exact Mass | 284.16 |
| IUPAC Name | 5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide |
| SMILES | CCN(CC)c1cnc(C(=O)N(C)c2ccccc2)cn1 |
| InChI | InChI=1S/C16H20N4O/c1-4-20(5-2)15-12-17-14(11-18-15)16(21)19(3)13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3 |
| InChIKey | YJIVJBWLRGJEGI-UHFFFAOYSA-N |
| XLogP | 2.60 |
| TPSA | 49.33 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 284.36 |
| LogP ≤ 5 | 2.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide (CID 109286874) is 5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide is CCN(CC)c1cnc(C(=O)N(C)c2ccccc2)cn1.
What is the InChIKey of 5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide?
The InChIKey is YJIVJBWLRGJEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-20(5-2)15-12-17-14(11-18-15)16(21)19(3)13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3.
What are the key properties of 5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide?
5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109286874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).