About N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 159188199) has the molecular formula C20H29N5O5
and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide.
Molecular Properties
| Compound Name | N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide |
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| PubChem CID | 159188199 |
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| Molecular Formula | C20H29N5O5 |
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| Molecular Weight | 419.48 g/mol |
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| Exact Mass | 419.22 |
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| IUPAC Name | N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide |
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| SMILES | COc1nccnc1CC(=O)[C@@H]1CCNN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |
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| InChI | InChI=1S/C20H29N5O5/c1-30-19-16(21-8-9-22-19)11-18(27)17-6-7-23-25(17)20(28)15(12-24(29)13-26)10-14-4-2-3-5-14/h8-9,13-15,17,23,29H,2-7,10-12H2,1H3/t15-,17+/m1/s1 |
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| InChIKey | KNTGVORDFTTZRF-WBVHZDCISA-N |
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| XLogP | 0.75 |
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| TPSA | 124.96 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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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 | 419.48 |
| LogP ≤ 5 | 0.75 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', '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-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide (CID 159188199) is N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide is COc1nccnc1CC(=O)[C@@H]1CCNN1C(=O)[C@H](CC1CCCC1)CN(O)C=O.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is KNTGVORDFTTZRF-WBVHZDCISA-N. The full InChI is InChI=1S/C20H29N5O5/c1-30-19-16(21-8-9-22-19)11-18(27)17-6-7-23-25(17)20(28)15(12-24(29)13-26)10-14-4-2-3-5-14/h8-9,13-15,17,23,29H,2-7,10-12H2,1H3/t15-,17+/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 419.48 g/mol, XLogP of 0.75, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 159188199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).