About N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121250629) has the molecular formula C26H29FN4O5S
and a molecular weight of 528.61 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide |
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| PubChem CID | 121250629 |
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| Molecular Formula | C26H29FN4O5S |
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| Molecular Weight | 528.61 g/mol |
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| Exact Mass | 528.18 |
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| IUPAC Name | N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-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(OC3CCCC3)n2)c1 |
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| InChI | InChI=1S/C26H29FN4O5S/c1-16(2)15-35-20-13-17(12-18(27)14-20)22-11-10-21(26(29-22)36-19-6-3-4-7-19)25(32)31-37(33,34)24-9-5-8-23(28)30-24/h5,8-14,16,19H,3-4,6-7,15H2,1-2H3,(H2,28,30)(H,31,32) |
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| InChIKey | YYQJLIZGGCLZJZ-UHFFFAOYSA-N |
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| XLogP | 4.34 |
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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 | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 528.61 |
| LogP ≤ 5 | 4.34 |
| 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-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121250629) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-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(OC3CCCC3)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is YYQJLIZGGCLZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O5S/c1-16(2)15-35-20-13-17(12-18(27)14-20)22-11-10-21(26(29-22)36-19-6-3-4-7-19)25(32)31-37(33,34)24-9-5-8-23(28)30-24/h5,8-14,16,19H,3-4,6-7,15H2,1-2H3,(H2,28,30)(H,31,32).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 528.61 g/mol, XLogP of 4.34, 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]-2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121250629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).