N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C19H18F2N4O2 — CID 134596949

IUPACN-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCOc1ncc(N/C=C\C(N)=N\C(=O)C2(c3ccccc3F)CC2)cc1F
InChIInChI=1S/C19H18F2N4O2/c1-27-17-15(21)10-12(11-24-17)23-9-6-16(22)25-18(26)19(7-8-19)13-4-2-3-5-14(13)20/h2-6,9-11,23H,7-8H2,1H3,(H2,22,25,26)/b9-6-
InChIKeyAPTKYLMAZHYSBI-TWGQIWQCSA-N
MW372.38 g/mol
LogP2.91
Rot. Bonds6

About N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 134596949) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID134596949
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCOc1ncc(N/C=C\C(N)=N\C(=O)C2(c3ccccc3F)CC2)cc1F
InChIInChI=1S/C19H18F2N4O2/c1-27-17-15(21)10-12(11-24-17)23-9-6-16(22)25-18(26)19(7-8-19)13-4-2-3-5-14(13)20/h2-6,9-11,23H,7-8H2,1H3,(H2,22,25,26)/b9-6-
InChIKeyAPTKYLMAZHYSBI-TWGQIWQCSA-N
XLogP2.91
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-amino-3-(pyrimidin-5-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 142372376
N-[(Z)-1-amino-3-[(2-ethoxy-4-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 142372160
N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 137282357
N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 137282358
N-[(Z)-1-amino-3-(pyrimidin-4-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 137282308
N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 142372106
N-[(Z)-1-amino-3-(3-chloroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 134595998
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 142372068
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-4-phenyloxane-4-carboxamide
CID 134596314
N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 142372099
N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide
CID 142372331
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 134596949) is N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is COc1ncc(N/C=C\C(N)=N\C(=O)C2(c3ccccc3F)CC2)cc1F.
What is the InChIKey of N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is APTKYLMAZHYSBI-TWGQIWQCSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-27-17-15(21)10-12(11-24-17)23-9-6-16(22)25-18(26)19(7-8-19)13-4-2-3-5-14(13)20/h2-6,9-11,23H,7-8H2,1H3,(H2,22,25,26)/b9-6-.
What are the key properties of N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134596949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).