About N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide
N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide (PubChem CID 56672002) has the molecular formula C26H20N8O
and a molecular weight of 460.50 g/mol. Its IUPAC name is N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide.
Molecular Properties
| Compound Name | N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide |
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| PubChem CID | 56672002 |
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| Molecular Formula | C26H20N8O |
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| Molecular Weight | 460.50 g/mol |
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| Exact Mass | 460.18 |
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| IUPAC Name | N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide |
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| SMILES | N/C(=N\c1ccc(-c2ccc(-c3ccc(/N=C(\N)c4ccccn4)nc3)o2)cn1)c1ccccn1 |
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| InChI | InChI=1S/C26H20N8O/c27-25(19-5-1-3-13-29-19)33-23-11-7-17(15-31-23)21-9-10-22(35-21)18-8-12-24(32-16-18)34-26(28)20-6-2-4-14-30-20/h1-16H,(H2,27,31,33)(H2,28,32,34) |
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| InChIKey | CKIKWAUSLKVBIU-UHFFFAOYSA-N |
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| XLogP | 4.27 |
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| TPSA | 141.46 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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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 | 460.50 |
| LogP ≤ 5 | 4.27 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide?
The IUPAC name of N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide (CID 56672002) is N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide is N/C(=N\c1ccc(-c2ccc(-c3ccc(/N=C(\N)c4ccccn4)nc3)o2)cn1)c1ccccn1.
What is the InChIKey of N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide?
The InChIKey is CKIKWAUSLKVBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O/c27-25(19-5-1-3-13-29-19)33-23-11-7-17(15-31-23)21-9-10-22(35-21)18-8-12-24(32-16-18)34-26(28)20-6-2-4-14-30-20/h1-16H,(H2,27,31,33)(H2,28,32,34).
What are the key properties of N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide?
N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide has a molecular weight of 460.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide is sourced from PubChem (CID 56672002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).