About N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide (PubChem CID 10455674) has the molecular formula C17H27F3N6O4
and a molecular weight of 436.44 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide.
Molecular Properties
| Compound Name | N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide |
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| PubChem CID | 10455674 |
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| Molecular Formula | C17H27F3N6O4 |
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| Molecular Weight | 436.44 g/mol |
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| Exact Mass | 436.20 |
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| IUPAC Name | N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide |
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| SMILES | CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(NCCOC)c(C(F)(F)F)n1 |
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| InChI | InChI=1S/C17H27F3N6O4/c1-3-4-5-6-12(10-26(29)11-27)15(28)24-25-16-22-9-13(21-7-8-30-2)14(23-16)17(18,19)20/h9,11-12,21,29H,3-8,10H2,1-2H3,(H,24,28)(H,22,23,25)/t12-/m1/s1 |
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| InChIKey | SJVFMPNCMRZMFI-GFCCVEGCSA-N |
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| XLogP | 2.04 |
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| TPSA | 128.71 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 436.44 |
| LogP ≤ 5 | 2.04 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide (CID 10455674) is N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(NCCOC)c(C(F)(F)F)n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
The InChIKey is SJVFMPNCMRZMFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27F3N6O4/c1-3-4-5-6-12(10-26(29)11-27)15(28)24-25-16-22-9-13(21-7-8-30-2)14(23-16)17(18,19)20/h9,11-12,21,29H,3-8,10H2,1-2H3,(H,24,28)(H,22,23,25)/t12-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide has a molecular weight of 436.44 g/mol, XLogP of 2.04, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[[5-(2-methoxyethylamino)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 10455674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).