N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide

C13H7F2N3O — CID 63978798

IUPACN-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccc(F)nc2)ccc1F
InChIInChI=1S/C13H7F2N3O/c14-11-3-2-10(5-9(11)6-16)18-13(19)8-1-4-12(15)17-7-8/h1-5,7H,(H,18,19)
InChIKeyUARRVOFIKVZQJN-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.48
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide

N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide (PubChem CID 63978798) has the molecular formula C13H7F2N3O and a molecular weight of 259.22 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
PubChem CID63978798
Molecular FormulaC13H7F2N3O
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC NameN-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccc(F)nc2)ccc1F
InChIInChI=1S/C13H7F2N3O/c14-11-3-2-10(5-9(11)6-16)18-13(19)8-1-4-12(15)17-7-8/h1-5,7H,(H,18,19)
InChIKeyUARRVOFIKVZQJN-UHFFFAOYSA-N
XLogP2.48
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-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-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 62315667
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 113255679
5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide
CID 107375402
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323580
N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
CID 62316846
6-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 63979934
N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765200
N-(3-bromo-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 82864244
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
6-fluoro-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 104856868

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide (CID 63978798) is N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide is N#Cc1cc(NC(=O)c2ccc(F)nc2)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is UARRVOFIKVZQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O/c14-11-3-2-10(5-9(11)6-16)18-13(19)8-1-4-12(15)17-7-8/h1-5,7H,(H,18,19).
What are the key properties of N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide?
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 259.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63978798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).