About 6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide
6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide (PubChem CID 118411479) has the molecular formula C30H20F4N6O2
and a molecular weight of 572.52 g/mol. Its IUPAC name is 6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide.
Molecular Properties
| Compound Name | 6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide |
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| PubChem CID | 118411479 |
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| Molecular Formula | C30H20F4N6O2 |
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| Molecular Weight | 572.52 g/mol |
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| Exact Mass | 572.16 |
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| IUPAC Name | 6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide |
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| SMILES | CNC(=O)c1ccc(-c2cnc(-c3ccccc3)c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c2)nc1 |
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| InChI | InChI=1S/C30H20F4N6O2/c1-35-28(41)18-8-9-24(38-15-18)19-12-25(26(39-16-19)17-6-3-2-4-7-17)40-29(42)21-13-20(27-36-10-5-11-37-27)22(14-23(21)31)30(32,33)34/h2-16H,1H3,(H,35,41)(H,40,42) |
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| InChIKey | RVLWYXBBXLYKIM-UHFFFAOYSA-N |
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| XLogP | 6.04 |
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| TPSA | 109.76 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 572.52 |
| LogP ≤ 5 | 6.04 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide (CID 118411479) is 6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(-c2cnc(-c3ccccc3)c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c2)nc1.
What is the InChIKey of 6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The InChIKey is RVLWYXBBXLYKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F4N6O2/c1-35-28(41)18-8-9-24(38-15-18)19-12-25(26(39-16-19)17-6-3-2-4-7-17)40-29(42)21-13-20(27-36-10-5-11-37-27)22(14-23(21)31)30(32,33)34/h2-16H,1H3,(H,35,41)(H,40,42).
What are the key properties of 6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide?
6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide has a molecular weight of 572.52 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 118411479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).