About N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide (PubChem CID 56661715) has the molecular formula C22H22N4O2
and a molecular weight of 374.44 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide.
Molecular Properties
| Compound Name | N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide |
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| PubChem CID | 56661715 |
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| Molecular Formula | C22H22N4O2 |
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| Molecular Weight | 374.44 g/mol |
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| Exact Mass | 374.17 |
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| IUPAC Name | N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide |
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| SMILES | Cc1ccc(/C(=N/C2CCc3ccccc32)NO)c(OCc2ccccn2)n1 |
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| InChI | InChI=1S/C22H22N4O2/c1-15-9-11-19(22(24-15)28-14-17-7-4-5-13-23-17)21(26-27)25-20-12-10-16-6-2-3-8-18(16)20/h2-9,11,13,20,27H,10,12,14H2,1H3,(H,25,26) |
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| InChIKey | FVPTYZJWVUCIHP-UHFFFAOYSA-N |
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| XLogP | 3.78 |
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| TPSA | 79.63 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 28 |
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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 | 374.44 |
| LogP ≤ 5 | 3.78 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide (CID 56661715) is N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide is Cc1ccc(/C(=N/C2CCc3ccccc32)NO)c(OCc2ccccn2)n1.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The InChIKey is FVPTYZJWVUCIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-9-11-19(22(24-15)28-14-17-7-4-5-13-23-17)21(26-27)25-20-12-10-16-6-2-3-8-18(16)20/h2-9,11,13,20,27H,10,12,14H2,1H3,(H,25,26).
What are the key properties of N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide has a molecular weight of 374.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56661715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).