About N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide
N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide (PubChem CID 136648481) has the molecular formula C24H26N4O3
and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide.
Molecular Properties
| Compound Name | N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide |
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| PubChem CID | 136648481 |
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| Molecular Formula | C24H26N4O3 |
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| Molecular Weight | 418.50 g/mol |
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| Exact Mass | 418.20 |
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| IUPAC Name | N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide |
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| SMILES | CN(C)CCN(C)C(=O)c1cc(-c2ccncc2)c(-c2ccc3c(c2)CCC3=NO)o1 |
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| InChI | InChI=1S/C24H26N4O3/c1-27(2)12-13-28(3)24(29)22-15-20(16-8-10-25-11-9-16)23(31-22)18-4-6-19-17(14-18)5-7-21(19)26-30/h4,6,8-11,14-15,30H,5,7,12-13H2,1-3H3 |
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| InChIKey | BXCHSDUASDOWDH-UHFFFAOYSA-N |
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| XLogP | 3.77 |
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| TPSA | 82.17 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 31 |
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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 | 418.50 |
| LogP ≤ 5 | 3.77 |
| H-Bond Donors ≤ 5 | 1 |
| 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-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide (CID 136648481) is N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide is CN(C)CCN(C)C(=O)c1cc(-c2ccncc2)c(-c2ccc3c(c2)CCC3=NO)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is BXCHSDUASDOWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-27(2)12-13-28(3)24(29)22-15-20(16-8-10-25-11-9-16)23(31-22)18-4-6-19-17(14-18)5-7-21(19)26-30/h4,6,8-11,14-15,30H,5,7,12-13H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 136648481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).