About 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide
1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide (PubChem CID 76652354) has the molecular formula C19H26FN5O4
and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide.
Molecular Properties
| Compound Name | 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide |
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| PubChem CID | 76652354 |
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| Molecular Formula | C19H26FN5O4 |
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| Molecular Weight | 407.45 g/mol |
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| Exact Mass | 407.20 |
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| IUPAC Name | 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide |
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| SMILES | O=CN(O)CC(CC1CCCC1)C(=O)N1CC(F)CC1C(=O)Nc1cccnn1 |
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| InChI | InChI=1S/C19H26FN5O4/c20-15-9-16(18(27)22-17-6-3-7-21-23-17)25(11-15)19(28)14(10-24(29)12-26)8-13-4-1-2-5-13/h3,6-7,12-16,29H,1-2,4-5,8-11H2,(H,22,23,27) |
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| InChIKey | ORYHYYPNXPCWQU-UHFFFAOYSA-N |
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| XLogP | 1.40 |
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| TPSA | 115.73 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 29 |
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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 | 407.45 |
| LogP ≤ 5 | 1.40 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide (CID 76652354) is 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide is O=CN(O)CC(CC1CCCC1)C(=O)N1CC(F)CC1C(=O)Nc1cccnn1.
What is the InChIKey of 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is ORYHYYPNXPCWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O4/c20-15-9-16(18(27)22-17-6-3-7-21-23-17)25(11-15)19(28)14(10-24(29)12-26)8-13-4-1-2-5-13/h3,6-7,12-16,29H,1-2,4-5,8-11H2,(H,22,23,27).
What are the key properties of 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 76652354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).