About 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one
3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one (PubChem CID 139946733) has the molecular formula C14H16N2O2
and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one.
Molecular Properties
| Compound Name | 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one |
| PubChem CID | 139946733 |
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.29 g/mol |
| Exact Mass | 244.12 |
| IUPAC Name | 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one |
| SMILES | CCn1ccc(-c2ccc(OC)cc2)c(N)c1=O |
| InChI | InChI=1S/C14H16N2O2/c1-3-16-9-8-12(13(15)14(16)17)10-4-6-11(18-2)7-5-10/h4-9H,3,15H2,1-2H3 |
| InChIKey | SXAJNGCIFXLEEE-UHFFFAOYSA-N |
| XLogP | 2.13 |
| TPSA | 57.25 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 244.29 |
| LogP ≤ 5 | 2.13 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one?
The IUPAC name of 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one (CID 139946733) is 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one is CCn1ccc(-c2ccc(OC)cc2)c(N)c1=O.
What is the InChIKey of 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one?
The InChIKey is SXAJNGCIFXLEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-16-9-8-12(13(15)14(16)17)10-4-6-11(18-2)7-5-10/h4-9H,3,15H2,1-2H3.
What are the key properties of 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one?
3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one has a molecular weight of 244.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 139946733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).