About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251565) has the molecular formula C29H28FIN4O5S
and a molecular weight of 690.54 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide |
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| PubChem CID | 121251565 |
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| Molecular Formula | C29H28FIN4O5S |
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| Molecular Weight | 690.54 g/mol |
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| Exact Mass | 690.08 |
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| IUPAC Name | N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide |
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| SMILES | Cc1cc(I)cc(C)c1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1 |
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| InChI | InChI=1S/C29H28FIN4O5S/c1-16(2)15-39-22-13-19(12-20(30)14-22)24-9-8-23(28(36)35-41(37,38)26-7-5-6-25(32)34-26)29(33-24)40-27-17(3)10-21(31)11-18(27)4/h5-14,16H,15H2,1-4H3,(H2,32,34)(H,35,36) |
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| InChIKey | NLKSAORFZVEIIC-UHFFFAOYSA-N |
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| XLogP | 6.03 |
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| TPSA | 133.50 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 690.54 |
| LogP ≤ 5 | 6.03 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
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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-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide (CID 121251565) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide is Cc1cc(I)cc(C)c1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is NLKSAORFZVEIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FIN4O5S/c1-16(2)15-39-22-13-19(12-20(30)14-22)24-9-8-23(28(36)35-41(37,38)26-7-5-6-25(32)34-26)29(33-24)40-27-17(3)10-21(31)11-18(27)4/h5-14,16H,15H2,1-4H3,(H2,32,34)(H,35,36).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 690.54 g/mol, XLogP of 6.03, 9 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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).