About (E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
(E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (PubChem CID 87765425) has the molecular formula C25H30N4O2
and a molecular weight of 418.54 g/mol. Its IUPAC name is (E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.
Molecular Properties
| Compound Name | (E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine |
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| PubChem CID | 87765425 |
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| Molecular Formula | C25H30N4O2 |
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| Molecular Weight | 418.54 g/mol |
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| Exact Mass | 418.24 |
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| IUPAC Name | (E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine |
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| SMILES | C/C(=N\OCCCc1cccc(-c2cc(OC(C)C)cc(C)n2)n1)c1cccc(C)n1 |
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| InChI | InChI=1S/C25H30N4O2/c1-17(2)31-22-15-19(4)27-25(16-22)24-13-7-10-21(28-24)11-8-14-30-29-20(5)23-12-6-9-18(3)26-23/h6-7,9-10,12-13,15-17H,8,11,14H2,1-5H3/b29-20+ |
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| InChIKey | HCQMEOBQPZEUFK-ZTKZIYFRSA-N |
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| XLogP | 5.32 |
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| TPSA | 69.49 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 418.54 |
| LogP ≤ 5 | 5.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The IUPAC name of (E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (CID 87765425) is (E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.
What is the SMILES notation for (E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The canonical SMILES for (E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is C/C(=N\OCCCc1cccc(-c2cc(OC(C)C)cc(C)n2)n1)c1cccc(C)n1.
What is the InChIKey of (E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The InChIKey is HCQMEOBQPZEUFK-ZTKZIYFRSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17(2)31-22-15-19(4)27-25(16-22)24-13-7-10-21(28-24)11-8-14-30-29-20(5)23-12-6-9-18(3)26-23/h6-7,9-10,12-13,15-17H,8,11,14H2,1-5H3/b29-20+.
What are the key properties of (E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
(E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine has a molecular weight of 418.54 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is sourced from PubChem (CID 87765425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).