About 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide (PubChem CID 154957886) has the molecular formula C26H34N4O6S
and a molecular weight of 530.65 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide.
Molecular Properties
| Compound Name | 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide |
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| PubChem CID | 154957886 |
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| Molecular Formula | C26H34N4O6S |
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| Molecular Weight | 530.65 g/mol |
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| Exact Mass | 530.22 |
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| IUPAC Name | 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide |
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| SMILES | CC1(COc2cccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)COC1 |
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| InChI | InChI=1S/C26H34N4O6S/c1-25(16-35-17-25)18-36-23-4-2-3-22(27-23)28-24(32)20-6-5-19(29-37(33,34)14-13-31)15-21(20)30-11-9-26(7-8-26)10-12-30/h2-6,15,29,31H,7-14,16-18H2,1H3,(H,27,28,32) |
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| InChIKey | JIRCYYBXUUJBNM-UHFFFAOYSA-N |
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| XLogP | 2.86 |
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| TPSA | 130.09 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 530.65 |
| LogP ≤ 5 | 2.86 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide (CID 154957886) is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide is CC1(COc2cccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)COC1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide?
The InChIKey is JIRCYYBXUUJBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O6S/c1-25(16-35-17-25)18-36-23-4-2-3-22(27-23)28-24(32)20-6-5-19(29-37(33,34)14-13-31)15-21(20)30-11-9-26(7-8-26)10-12-30/h2-6,15,29,31H,7-14,16-18H2,1H3,(H,27,28,32).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide has a molecular weight of 530.65 g/mol, XLogP of 2.86, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]benzamide is sourced from PubChem (CID 154957886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).