About 6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide
6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide (PubChem CID 137438944) has the molecular formula C26H17ClFN5O4S
and a molecular weight of 549.97 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide.
Molecular Properties
| Compound Name | 6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide |
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| PubChem CID | 137438944 |
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| Molecular Formula | C26H17ClFN5O4S |
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| Molecular Weight | 549.97 g/mol |
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| Exact Mass | 549.07 |
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| IUPAC Name | 6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide |
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| SMILES | Cc1cc(-c2cc3c(=O)cc(C(=O)NS(=O)(=O)c4ccc(F)cn4)[nH]c3nc2-c2ccccc2)cc(Cl)n1 |
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| InChI | InChI=1S/C26H17ClFN5O4S/c1-14-9-16(10-22(27)30-14)18-11-19-21(34)12-20(31-25(19)32-24(18)15-5-3-2-4-6-15)26(35)33-38(36,37)23-8-7-17(28)13-29-23/h2-13H,1H3,(H,33,35)(H,31,32,34) |
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| InChIKey | WCZQGOVCSUTHRU-UHFFFAOYSA-N |
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| XLogP | 4.27 |
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| TPSA | 134.77 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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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 | 549.97 |
| LogP ≤ 5 | 4.27 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide (CID 137438944) is 6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide is Cc1cc(-c2cc3c(=O)cc(C(=O)NS(=O)(=O)c4ccc(F)cn4)[nH]c3nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide?
The InChIKey is WCZQGOVCSUTHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClFN5O4S/c1-14-9-16(10-22(27)30-14)18-11-19-21(34)12-20(31-25(19)32-24(18)15-5-3-2-4-6-15)26(35)33-38(36,37)23-8-7-17(28)13-29-23/h2-13H,1H3,(H,33,35)(H,31,32,34).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide?
6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide has a molecular weight of 549.97 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 137438944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).