About N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide
N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide (PubChem CID 10142663) has the molecular formula C30H26N6O3
and a molecular weight of 518.58 g/mol. Its IUPAC name is N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide.
Molecular Properties
| Compound Name | N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide |
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| PubChem CID | 10142663 |
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| Molecular Formula | C30H26N6O3 |
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| Molecular Weight | 518.58 g/mol |
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| Exact Mass | 518.21 |
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| IUPAC Name | N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide |
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| SMILES | COc1cc(-c2ccc(-c3ccc(/N=C(\N)c4ccccn4)c(OC)c3)o2)ccc1/N=C(\N)c1ccccn1 |
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| InChI | InChI=1S/C30H26N6O3/c1-37-27-17-19(9-11-21(27)35-29(31)23-7-3-5-15-33-23)25-13-14-26(39-25)20-10-12-22(28(18-20)38-2)36-30(32)24-8-4-6-16-34-24/h3-18H,1-2H3,(H2,31,35)(H2,32,36) |
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| InChIKey | UCQQUPLOYWLEMQ-UHFFFAOYSA-N |
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| XLogP | 5.49 |
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| TPSA | 134.14 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 518.58 |
| LogP ≤ 5 | 5.49 |
| 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'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide?
The IUPAC name of N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide (CID 10142663) is N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide is COc1cc(-c2ccc(-c3ccc(/N=C(\N)c4ccccn4)c(OC)c3)o2)ccc1/N=C(\N)c1ccccn1.
What is the InChIKey of N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide?
The InChIKey is UCQQUPLOYWLEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O3/c1-37-27-17-19(9-11-21(27)35-29(31)23-7-3-5-15-33-23)25-13-14-26(39-25)20-10-12-22(28(18-20)38-2)36-30(32)24-8-4-6-16-34-24/h3-18H,1-2H3,(H2,31,35)(H2,32,36).
What are the key properties of N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide?
N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide has a molecular weight of 518.58 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]pyridine-2-carboximidamide is sourced from PubChem (CID 10142663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).