About N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 135929388) has the molecular formula C29H27N3O3
and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.
Molecular Properties
| Compound Name | N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine |
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| PubChem CID | 135929388 |
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| Molecular Formula | C29H27N3O3 |
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| Molecular Weight | 465.55 g/mol |
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| Exact Mass | 465.21 |
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| IUPAC Name | N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine |
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| SMILES | ON=C1CCc2cc(-c3cc(-c4ccc(OC5CCNCC5)cc4)oc3-c3ccncc3)ccc21 |
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| InChI | InChI=1S/C29H27N3O3/c33-32-27-8-4-21-17-22(3-7-25(21)27)26-18-28(35-29(26)20-9-13-30-14-10-20)19-1-5-23(6-2-19)34-24-11-15-31-16-12-24/h1-3,5-7,9-10,13-14,17-18,24,31,33H,4,8,11-12,15-16H2 |
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| InChIKey | JVKPSEIKOLNLQA-UHFFFAOYSA-N |
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| XLogP | 5.93 |
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| TPSA | 79.88 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 465.55 |
| LogP ≤ 5 | 5.93 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 135929388) is N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is ON=C1CCc2cc(-c3cc(-c4ccc(OC5CCNCC5)cc4)oc3-c3ccncc3)ccc21.
What is the InChIKey of N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is JVKPSEIKOLNLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c33-32-27-8-4-21-17-22(3-7-25(21)27)26-18-28(35-29(26)20-9-13-30-14-10-20)19-1-5-23(6-2-19)34-24-11-15-31-16-12-24/h1-3,5-7,9-10,13-14,17-18,24,31,33H,4,8,11-12,15-16H2.
What are the key properties of N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 465.55 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 135929388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).