About 1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one
1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one (PubChem CID 60930659) has the molecular formula C11H14N4O
and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one.
Molecular Properties
| Compound Name | 1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one |
| PubChem CID | 60930659 |
| Molecular Formula | C11H14N4O |
| Molecular Weight | 218.26 g/mol |
| Exact Mass | 218.12 |
| IUPAC Name | 1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one |
| SMILES | Cn1nccc1CNc1ccc(=O)n(C)c1 |
| InChI | InChI=1S/C11H14N4O/c1-14-8-9(3-4-11(14)16)12-7-10-5-6-13-15(10)2/h3-6,8,12H,7H2,1-2H3 |
| InChIKey | SHUQZWJQEKJNGY-UHFFFAOYSA-N |
| XLogP | 0.73 |
| TPSA | 51.85 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 218.26 |
| LogP ≤ 5 | 0.73 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one (CID 60930659) is 1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one is Cn1nccc1CNc1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one?
The InChIKey is SHUQZWJQEKJNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-14-8-9(3-4-11(14)16)12-7-10-5-6-13-15(10)2/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one?
1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 60930659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).