About N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87264176) has the molecular formula C19H32N6O3
and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide.
Molecular Properties
| Compound Name | N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide |
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| PubChem CID | 87264176 |
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| Molecular Formula | C19H32N6O3 |
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| Molecular Weight | 392.50 g/mol |
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| Exact Mass | 392.25 |
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| IUPAC Name | N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide |
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| SMILES | CCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C)c(C)c(N2CCCC2)n1 |
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| InChI | InChI=1S/C19H32N6O3/c1-4-5-6-9-16(12-25(28)13-26)18(27)22-23-19-20-15(3)14(2)17(21-19)24-10-7-8-11-24/h13,16,28H,4-12H2,1-3H3,(H,22,27)(H,20,21,23)/t16-/m1/s1 |
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| InChIKey | CWKGKPYPJKQIQW-MRXNPFEDSA-N |
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| XLogP | 2.18 |
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| TPSA | 110.69 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 28 |
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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 | 392.50 |
| LogP ≤ 5 | 2.18 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
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-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87264176) is N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C)c(C)c(N2CCCC2)n1.
What is the InChIKey of N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is CWKGKPYPJKQIQW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H32N6O3/c1-4-5-6-9-16(12-25(28)13-26)18(27)22-23-19-20-15(3)14(2)17(21-19)24-10-7-8-11-24/h13,16,28H,4-12H2,1-3H3,(H,22,27)(H,20,21,23)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 392.50 g/mol, XLogP of 2.18, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87264176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).