About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121250480) has the molecular formula C27H30FN5O4S
and a molecular weight of 539.63 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide |
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| PubChem CID | 121250480 |
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| Molecular Formula | C27H30FN5O4S |
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| Molecular Weight | 539.63 g/mol |
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| Exact Mass | 539.20 |
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| IUPAC Name | N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide |
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| SMILES | CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC4(CCC4)C3)n2)c1 |
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| InChI | InChI=1S/C27H30FN5O4S/c1-17(2)14-37-20-12-18(11-19(28)13-20)22-8-7-21(25(30-22)33-15-27(16-33)9-4-10-27)26(34)32-38(35,36)24-6-3-5-23(29)31-24/h3,5-8,11-13,17H,4,9-10,14-16H2,1-2H3,(H2,29,31)(H,32,34) |
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| InChIKey | MYLBKVYBEVOERT-UHFFFAOYSA-N |
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| XLogP | 4.01 |
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| TPSA | 127.51 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 539.63 |
| LogP ≤ 5 | 4.01 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121250480) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC4(CCC4)C3)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is MYLBKVYBEVOERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O4S/c1-17(2)14-37-20-12-18(11-19(28)13-20)22-8-7-21(25(30-22)33-15-27(16-33)9-4-10-27)26(34)32-38(35,36)24-6-3-5-23(29)31-24/h3,5-8,11-13,17H,4,9-10,14-16H2,1-2H3,(H2,29,31)(H,32,34).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 539.63 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121250480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).