N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide

C13H7F2N3O — CID 79953368

IUPACN-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccncc1F
InChIInChI=1S/C13H7F2N3O/c14-9-1-2-12(8(5-9)6-16)18-13(19)10-3-4-17-7-11(10)15/h1-5,7H,(H,18,19)
InChIKeyYXGVJVJJTPKWQH-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.48
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide

N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 79953368) has the molecular formula C13H7F2N3O and a molecular weight of 259.22 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
PubChem CID79953368
Molecular FormulaC13H7F2N3O
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC NameN-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccncc1F
InChIInChI=1S/C13H7F2N3O/c14-9-1-2-12(8(5-9)6-16)18-13(19)10-3-4-17-7-11(10)15/h1-5,7H,(H,18,19)
InChIKeyYXGVJVJJTPKWQH-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

Analyze N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-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-(2-cyano-4-fluorophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105072391
N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070921
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722029
2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 103739886
3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39039205
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 82682867
N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 107467316
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 82016209

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide (CID 79953368) is N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide is N#Cc1cc(F)ccc1NC(=O)c1ccncc1F.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is YXGVJVJJTPKWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O/c14-9-1-2-12(8(5-9)6-16)18-13(19)10-3-4-17-7-11(10)15/h1-5,7H,(H,18,19).
What are the key properties of N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide?
N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-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-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 79953368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).