About 1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide
1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide (PubChem CID 121373747) has the molecular formula C16H19FN6O
and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide.
Molecular Properties
| Compound Name | 1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide |
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| PubChem CID | 121373747 |
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| Molecular Formula | C16H19FN6O |
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| Molecular Weight | 330.37 g/mol |
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| Exact Mass | 330.16 |
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| IUPAC Name | 1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide |
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| SMILES | [H]/N=C(\C=N\[H])c1ccc(/N=C(\N)C2=C(N)CCN(C(C)=O)C2)c(F)c1 |
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| InChI | InChI=1S/C16H19FN6O/c1-9(24)23-5-4-13(19)11(8-23)16(21)22-15-3-2-10(6-12(15)17)14(20)7-18/h2-3,6-7,18,20H,4-5,8,19H2,1H3,(H2,21,22)/b18-7+,20-14+ |
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| InChIKey | CZFSNQSKEBWKMC-HUGVBWEASA-N |
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| XLogP | 1.30 |
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| TPSA | 132.41 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 24 |
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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 | 330.37 |
| LogP ≤ 5 | 1.30 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 5 |
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 1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide?
The IUPAC name of 1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide (CID 121373747) is 1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide.
What is the SMILES notation for 1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide?
The canonical SMILES for 1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide is [H]/N=C(\C=N\[H])c1ccc(/N=C(\N)C2=C(N)CCN(C(C)=O)C2)c(F)c1.
What is the InChIKey of 1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide?
The InChIKey is CZFSNQSKEBWKMC-HUGVBWEASA-N. The full InChI is InChI=1S/C16H19FN6O/c1-9(24)23-5-4-13(19)11(8-23)16(21)22-15-3-2-10(6-12(15)17)14(20)7-18/h2-3,6-7,18,20H,4-5,8,19H2,1H3,(H2,21,22)/b18-7+,20-14+.
What are the key properties of 1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide?
1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide has a molecular weight of 330.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-amino-N'-[2-fluoro-4-(2-iminoethanimidoyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide is sourced from PubChem (CID 121373747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).