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

C18H16FIN4O — CID 134596118

IUPACN-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide
SMILESNC(/C=C\Nc1ccnc(F)c1)=N\C(=O)C1(c2ccc(I)cc2)CC1
InChIInChI=1S/C18H16FIN4O/c19-15-11-14(5-9-23-15)22-10-6-16(21)24-17(25)18(7-8-18)12-1-3-13(20)4-2-12/h1-6,9-11H,7-8H2,(H,22,23)(H2,21,24,25)/b10-6-
InChIKeyFTEIUQMVQDZMMK-POHAHGRESA-N
MW450.26 g/mol
LogP3.37
Rot. Bonds5

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

N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide (PubChem CID 134596118) has the molecular formula C18H16FIN4O and a molecular weight of 450.26 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide
PubChem CID134596118
Molecular FormulaC18H16FIN4O
Molecular Weight450.26 g/mol
Exact Mass450.04
IUPAC NameN-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide
SMILESNC(/C=C\Nc1ccnc(F)c1)=N\C(=O)C1(c2ccc(I)cc2)CC1
InChIInChI=1S/C18H16FIN4O/c19-15-11-14(5-9-23-15)22-10-6-16(21)24-17(25)18(7-8-18)12-1-3-13(20)4-2-12/h1-6,9-11H,7-8H2,(H,22,23)(H2,21,24,25)/b10-6-
InChIKeyFTEIUQMVQDZMMK-POHAHGRESA-N
XLogP3.37
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.26
LogP ≤ 53.37
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide (CID 134596118) is N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide is NC(/C=C\Nc1ccnc(F)c1)=N\C(=O)C1(c2ccc(I)cc2)CC1.
What is the InChIKey of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide?
The InChIKey is FTEIUQMVQDZMMK-POHAHGRESA-N. The full InChI is InChI=1S/C18H16FIN4O/c19-15-11-14(5-9-23-15)22-10-6-16(21)24-17(25)18(7-8-18)12-1-3-13(20)4-2-12/h1-6,9-11H,7-8H2,(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-(4-iodophenyl)cyclopropane-1-carboxamide?
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(4-iodophenyl)cyclopropane-1-carboxamide has a molecular weight of 450.26 g/mol, XLogP of 3.37, 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-(4-iodophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134596118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).