About 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one
1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one (PubChem CID 142677377) has the molecular formula C15H14N4O2
and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one.
Molecular Properties
| Compound Name | 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one |
| PubChem CID | 142677377 |
| Molecular Formula | C15H14N4O2 |
| Molecular Weight | 282.30 g/mol |
| Exact Mass | 282.11 |
| IUPAC Name | 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one |
| SMILES | COc1cccc(-c2cc(-n3ccnc3)cc(=O)n2N)c1 |
| InChI | InChI=1S/C15H14N4O2/c1-21-13-4-2-3-11(7-13)14-8-12(9-15(20)19(14)16)18-6-5-17-10-18/h2-10H,16H2,1H3 |
| InChIKey | QMEWQHHMVRTZBQ-UHFFFAOYSA-N |
| XLogP | 1.42 |
| TPSA | 75.07 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 282.30 |
| LogP ≤ 5 | 1.42 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one?
The IUPAC name of 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one (CID 142677377) is 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one is COc1cccc(-c2cc(-n3ccnc3)cc(=O)n2N)c1.
What is the InChIKey of 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one?
The InChIKey is QMEWQHHMVRTZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-13-4-2-3-11(7-13)14-8-12(9-15(20)19(14)16)18-6-5-17-10-18/h2-10H,16H2,1H3.
What are the key properties of 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one?
1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one has a molecular weight of 282.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 142677377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).