About N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 137282357) has the molecular formula C18H15F3N4O
and a molecular weight of 360.34 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
Molecular Properties
| Compound Name | N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide |
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| PubChem CID | 137282357 |
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| Molecular Formula | C18H15F3N4O |
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| Molecular Weight | 360.34 g/mol |
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| Exact Mass | 360.12 |
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| IUPAC Name | N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide |
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| SMILES | NC(/C=C\Nc1ncc(F)cc1F)=N\C(=O)C1(c2ccccc2F)CC1 |
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| InChI | InChI=1S/C18H15F3N4O/c19-11-9-14(21)16(24-10-11)23-8-5-15(22)25-17(26)18(6-7-18)12-3-1-2-4-13(12)20/h1-5,8-10H,6-7H2,(H,23,24)(H2,22,25,26)/b8-5- |
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| InChIKey | JCWDLWFHTGLNLF-YVMONPNESA-N |
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| XLogP | 3.04 |
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| TPSA | 80.37 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 26 |
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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 | 360.34 |
| LogP ≤ 5 | 3.04 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 137282357) is N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is NC(/C=C\Nc1ncc(F)cc1F)=N\C(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is JCWDLWFHTGLNLF-YVMONPNESA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-11-9-14(21)16(24-10-11)23-8-5-15(22)25-17(26)18(6-7-18)12-3-1-2-4-13(12)20/h1-5,8-10H,6-7H2,(H,23,24)(H2,22,25,26)/b8-5-.
What are the key properties of N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 137282357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).