About N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide
N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide (PubChem CID 142501123) has the molecular formula C26H34N4O5
and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide |
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| PubChem CID | 142501123 |
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| Molecular Formula | C26H34N4O5 |
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| Molecular Weight | 482.58 g/mol |
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| Exact Mass | 482.25 |
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| IUPAC Name | N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide |
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| SMILES | CO[C@H](C)c1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)C(=O)N(CCC(C)(C)O)C3)n1 |
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| InChI | InChI=1S/C26H34N4O5/c1-17(34-4)20-6-5-7-21(27-20)24(31)28-22-14-18-16-30(9-8-26(2,3)33)25(32)19(18)15-23(22)29-10-12-35-13-11-29/h5-7,14-15,17,33H,8-13,16H2,1-4H3,(H,28,31)/t17-/m1/s1 |
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| InChIKey | DPZZRYGBPAQQQC-QGZVFWFLSA-N |
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| XLogP | 2.99 |
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| TPSA | 104.23 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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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 | 482.58 |
| LogP ≤ 5 | 2.99 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide (CID 142501123) is N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide is CO[C@H](C)c1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)C(=O)N(CCC(C)(C)O)C3)n1.
What is the InChIKey of N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide?
The InChIKey is DPZZRYGBPAQQQC-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-17(34-4)20-6-5-7-21(27-20)24(31)28-22-14-18-16-30(9-8-26(2,3)33)25(32)19(18)15-23(22)29-10-12-35-13-11-29/h5-7,14-15,17,33H,8-13,16H2,1-4H3,(H,28,31)/t17-/m1/s1.
What are the key properties of N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide?
N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 142501123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).