About N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide
N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 130205059) has the molecular formula C26H34N4O3S
and a molecular weight of 482.65 g/mol. Its IUPAC name is N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide.
Molecular Properties
| Compound Name | N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide |
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| PubChem CID | 130205059 |
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| Molecular Formula | C26H34N4O3S |
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| Molecular Weight | 482.65 g/mol |
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| Exact Mass | 482.24 |
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| IUPAC Name | N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide |
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| SMILES | COCCN1CCN(Cc2ccc(-c3ccc(SN4CC=C(C(=O)NO)CC4)cc3)cc2)CC1 |
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| InChI | InChI=1S/C26H34N4O3S/c1-33-19-18-28-14-16-29(17-15-28)20-21-2-4-22(5-3-21)23-6-8-25(9-7-23)34-30-12-10-24(11-13-30)26(31)27-32/h2-10,32H,11-20H2,1H3,(H,27,31) |
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| InChIKey | VVQQDDSYOQGGPO-UHFFFAOYSA-N |
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| XLogP | 3.26 |
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| TPSA | 68.28 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 34 |
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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 | 482.65 |
| LogP ≤ 5 | 3.26 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 130205059) is N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide is COCCN1CCN(Cc2ccc(-c3ccc(SN4CC=C(C(=O)NO)CC4)cc3)cc2)CC1.
What is the InChIKey of N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is VVQQDDSYOQGGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-33-19-18-28-14-16-29(17-15-28)20-21-2-4-22(5-3-21)23-6-8-25(9-7-23)34-30-12-10-24(11-13-30)26(31)27-32/h2-10,32H,11-20H2,1H3,(H,27,31).
What are the key properties of N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide?
N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 482.65 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfanyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 130205059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).