About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide (PubChem CID 121250676) has the molecular formula C26H29FN4O6S
and a molecular weight of 544.61 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide |
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| PubChem CID | 121250676 |
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| Molecular Formula | C26H29FN4O6S |
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| Molecular Weight | 544.61 g/mol |
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| Exact Mass | 544.18 |
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| IUPAC Name | N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide |
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| SMILES | CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCC3CCOC3)n2)c1 |
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| InChI | InChI=1S/C26H29FN4O6S/c1-16(2)13-36-20-11-18(10-19(27)12-20)22-7-6-21(26(29-22)37-15-17-8-9-35-14-17)25(32)31-38(33,34)24-5-3-4-23(28)30-24/h3-7,10-12,16-17H,8-9,13-15H2,1-2H3,(H2,28,30)(H,31,32) |
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| InChIKey | LIQQFLWINHWHGR-UHFFFAOYSA-N |
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| XLogP | 3.43 |
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| TPSA | 142.73 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 10 |
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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 | 544.61 |
| LogP ≤ 5 | 3.43 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide (CID 121250676) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCC3CCOC3)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is LIQQFLWINHWHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O6S/c1-16(2)13-36-20-11-18(10-19(27)12-20)22-7-6-21(26(29-22)37-15-17-8-9-35-14-17)25(32)31-38(33,34)24-5-3-4-23(28)30-24/h3-7,10-12,16-17H,8-9,13-15H2,1-2H3,(H2,28,30)(H,31,32).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide has a molecular weight of 544.61 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxolan-3-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121250676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).