N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide

C20H19F3N4O — CID 142372176

IUPACN-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
SMILESC/C(=C/C(N)=N/C(=O)C1(c2ncccc2F)CC1C)Nc1ccc(F)cc1F
InChIInChI=1S/C20H19F3N4O/c1-11-10-20(11,18-14(22)4-3-7-25-18)19(28)27-17(24)8-12(2)26-16-6-5-13(21)9-15(16)23/h3-9,11,26H,10H2,1-2H3,(H2,24,27,28)/b12-8-
InChIKeyDWRGOKUJMRUEET-WQLSENKSSA-N
MW388.39 g/mol
LogP3.68
Rot. Bonds5

About N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide

N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 142372176) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
PubChem CID142372176
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC NameN-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
SMILESC/C(=C/C(N)=N/C(=O)C1(c2ncccc2F)CC1C)Nc1ccc(F)cc1F
InChIInChI=1S/C20H19F3N4O/c1-11-10-20(11,18-14(22)4-3-7-25-18)19(28)27-17(24)8-12(2)26-16-6-5-13(21)9-15(16)23/h3-9,11,26H,10H2,1-2H3,(H2,24,27,28)/b12-8-
InChIKeyDWRGOKUJMRUEET-WQLSENKSSA-N
XLogP3.68
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 142372099
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide
CID 135316097
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
N-(2,4-difluorophenyl)-2-methoxypyridine-3-carboxamide
CID 2819487
N-(2,4-difluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165523
N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144316
N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169223
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
N-(2,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688890
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide (CID 142372176) is N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide is C/C(=C/C(N)=N/C(=O)C1(c2ncccc2F)CC1C)Nc1ccc(F)cc1F.
What is the InChIKey of N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is DWRGOKUJMRUEET-WQLSENKSSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-11-10-20(11,18-14(22)4-3-7-25-18)19(28)27-17(24)8-12(2)26-16-6-5-13(21)9-15(16)23/h3-9,11,26H,10H2,1-2H3,(H2,24,27,28)/b12-8-.
What are the key properties of N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide?
N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 3.68, 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-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 142372176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).