About 3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide (PubChem CID 103566450) has the molecular formula C14H15N3O3
and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide.
Molecular Properties
| Compound Name | 3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide |
| PubChem CID | 103566450 |
| Molecular Formula | C14H15N3O3 |
| Molecular Weight | 273.29 g/mol |
| Exact Mass | 273.11 |
| IUPAC Name | 3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide |
| SMILES | COc1cc(Oc2nccc(C)c2N)cc(C(N)=O)c1 |
| InChI | InChI=1S/C14H15N3O3/c1-8-3-4-17-14(12(8)15)20-11-6-9(13(16)18)5-10(7-11)19-2/h3-7H,15H2,1-2H3,(H2,16,18) |
| InChIKey | ZVHPYDOEGHZISH-UHFFFAOYSA-N |
| XLogP | 1.87 |
| TPSA | 100.46 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 273.29 |
| LogP ≤ 5 | 1.87 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide?
The IUPAC name of 3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide (CID 103566450) is 3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide.
What is the SMILES notation for 3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide?
The canonical SMILES for 3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide is COc1cc(Oc2nccc(C)c2N)cc(C(N)=O)c1.
What is the InChIKey of 3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide?
The InChIKey is ZVHPYDOEGHZISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-3-4-17-14(12(8)15)20-11-6-9(13(16)18)5-10(7-11)19-2/h3-7H,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide?
3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide has a molecular weight of 273.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide is sourced from PubChem (CID 103566450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).