About N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 142372223) has the molecular formula C19H19FN4O
and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide.
Molecular Properties
| Compound Name | N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide |
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| PubChem CID | 142372223 |
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| Molecular Formula | C19H19FN4O |
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| Molecular Weight | 338.39 g/mol |
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| Exact Mass | 338.15 |
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| IUPAC Name | N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide |
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| SMILES | Cc1cccc(C2(C(=O)/N=C(N)/C=C\Nc3ccnc(F)c3)CC2)c1 |
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| InChI | InChI=1S/C19H19FN4O/c1-13-3-2-4-14(11-13)19(7-8-19)18(25)24-17(21)6-10-22-15-5-9-23-16(20)12-15/h2-6,9-12H,7-8H2,1H3,(H,22,23)(H2,21,24,25)/b10-6- |
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| InChIKey | MNEISJOAKBDYCT-POHAHGRESA-N |
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| XLogP | 3.07 |
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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 | 25 |
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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 | 338.39 |
| LogP ≤ 5 | 3.07 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide (CID 142372223) is N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide is Cc1cccc(C2(C(=O)/N=C(N)/C=C\Nc3ccnc(F)c3)CC2)c1.
What is the InChIKey of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is MNEISJOAKBDYCT-POHAHGRESA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-3-2-4-14(11-13)19(7-8-19)18(25)24-17(21)6-10-22-15-5-9-23-16(20)12-15/h2-6,9-12H,7-8H2,1H3,(H,22,23)(H2,21,24,25)/b10-6-.
What are the key properties of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.07, 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-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 142372223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).