N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide

C18H16F2N4O — CID 142372068

IUPACN-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESNC(/C=C\Nc1ccnc(F)c1)=N\C(=O)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C18H16F2N4O/c19-13-3-1-2-12(10-13)18(6-7-18)17(25)24-16(21)5-9-22-14-4-8-23-15(20)11-14/h1-5,8-11H,6-7H2,(H,22,23)(H2,21,24,25)/b9-5-
InChIKeyXYCJPGCRGLJYBG-UITAMQMPSA-N
MW342.35 g/mol
LogP2.90
Rot. Bonds5

About N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide

N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 142372068) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID142372068
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC NameN-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESNC(/C=C\Nc1ccnc(F)c1)=N\C(=O)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C18H16F2N4O/c19-13-3-1-2-12(10-13)18(6-7-18)17(25)24-16(21)5-9-22-14-4-8-23-15(20)11-14/h1-5,8-11H,6-7H2,(H,22,23)(H2,21,24,25)/b9-5-
InChIKeyXYCJPGCRGLJYBG-UITAMQMPSA-N
XLogP2.90
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 142372223
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide
CID 134596118
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-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 137282357
N-[(Z)-1-amino-3-(pyrimidin-4-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 137282308
N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 142372099
(Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 142601724
N-[(Z)-1-amino-3-(pyridin-4-ylamino)prop-2-enylidene]-2,2-difluorocyclopropane-1-carboxamide
CID 142372088
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
CID 92582737
1-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)cyclopropane-1-carboxamide
CID 139815337
1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide
CID 137419677
5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008380

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide (CID 142372068) is N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide is NC(/C=C\Nc1ccnc(F)c1)=N\C(=O)C1(c2cccc(F)c2)CC1.
What is the InChIKey of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is XYCJPGCRGLJYBG-UITAMQMPSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-13-3-1-2-12(10-13)18(6-7-18)17(25)24-16(21)5-9-22-14-4-8-23-15(20)11-14/h1-5,8-11H,6-7H2,(H,22,23)(H2,21,24,25)/b9-5-.
What are the key properties of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide?
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 2.90, 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-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 142372068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).