N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide

C140H102Cl9F5N22O14S4 — CID 158029767

IUPACN-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2)c(Cl)c1.CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c(Cl)c1.CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3F)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2ccc(-c3ccccc3Cl)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2cncc(-c3cccs3)c2)c(Cl)c1.N#Cc1cccc(-c2cncc(C(=O)NCc3ccc(C#N)cc3Cl)c2)c1
InChIInChI=1S/C21H13ClF3N3O2.C21H13ClN4O.C20H17Cl2N3O3S.C20H13Cl2N3O.2C20H17ClFN3O3S.C18H12ClN3OS/c22-18-9-13(10-26)1-2-15(18)11-28-20(29)16-5-8-19(27-12-16)14-3-6-17(7-4-14)30-21(23,24)25;22-20-7-15(10-24)4-5-17(20)13-26-21(27)19-8-18(11-25-12-19)16-3-1-2-14(6-16)9-23;1-23-29(27,28)17-8-4-14(18(22)10-17)11-25-20(26)15-5-9-19(24-12-15)13-2-6-16(21)7-3-13;21-17-4-2-1-3-16(17)19-8-7-15(12-24-19)20(26)25-11-14-6-5-13(10-23)9-18(14)22;1-23-29(27,28)17-8-4-14(18(21)10-17)11-25-20(26)15-5-9-19(24-12-15)13-2-6-16(22)7-3-13;1-23-29(27,28)15-8-6-13(17(21)10-15)11-25-20(26)14-7-9-19(24-12-14)16-4-2-3-5-18(16)22;19-16-6-12(8-20)3-4-13(16)11-22-18(23)15-7-14(9-21-10-15)17-2-1-5-24-17/h1-9,12H,11H2,(H,28,29);1-8,11-12H,13H2,(H,26,27);2-10,12,23H,11H2,1H3,(H,25,26);1-9,12H,11H2,(H,25,26);2*2-10,12,23H,11H2,1H3,(H,25,26);1-7,9-10H,11H2,(H,22,23)
InChIKeyFHAREZRCCHMUCP-UHFFFAOYSA-N
MW2858.83 g/mol
LogP28.95
Rot. Bonds35

About N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide

N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 158029767) has the molecular formula C140H102Cl9F5N22O14S4 and a molecular weight of 2858.83 g/mol. Its IUPAC name is N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID158029767
Molecular FormulaC140H102Cl9F5N22O14S4
Molecular Weight2858.83 g/mol
Exact Mass2852.39
IUPAC NameN-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2)c(Cl)c1.CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c(Cl)c1.CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3F)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2ccc(-c3ccccc3Cl)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2cncc(-c3cccs3)c2)c(Cl)c1.N#Cc1cccc(-c2cncc(C(=O)NCc3ccc(C#N)cc3Cl)c2)c1
InChIInChI=1S/C21H13ClF3N3O2.C21H13ClN4O.C20H17Cl2N3O3S.C20H13Cl2N3O.2C20H17ClFN3O3S.C18H12ClN3OS/c22-18-9-13(10-26)1-2-15(18)11-28-20(29)16-5-8-19(27-12-16)14-3-6-17(7-4-14)30-21(23,24)25;22-20-7-15(10-24)4-5-17(20)13-26-21(27)19-8-18(11-25-12-19)16-3-1-2-14(6-16)9-23;1-23-29(27,28)17-8-4-14(18(22)10-17)11-25-20(26)15-5-9-19(24-12-15)13-2-6-16(21)7-3-13;21-17-4-2-1-3-16(17)19-8-7-15(12-24-19)20(26)25-11-14-6-5-13(10-23)9-18(14)22;1-23-29(27,28)17-8-4-14(18(21)10-17)11-25-20(26)15-5-9-19(24-12-15)13-2-6-16(22)7-3-13;1-23-29(27,28)15-8-6-13(17(21)10-15)11-25-20(26)14-7-9-19(24-12-14)16-4-2-3-5-18(16)22;19-16-6-12(8-20)3-4-13(16)11-22-18(23)15-7-14(9-21-10-15)17-2-1-5-24-17/h1-9,12H,11H2,(H,28,29);1-8,11-12H,13H2,(H,26,27);2-10,12,23H,11H2,1H3,(H,25,26);1-9,12H,11H2,(H,25,26);2*2-10,12,23H,11H2,1H3,(H,25,26);1-7,9-10H,11H2,(H,22,23)
InChIKeyFHAREZRCCHMUCP-UHFFFAOYSA-N
XLogP28.95
TPSA560.62 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds35
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002858.83
LogP ≤ 528.95
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide (CID 158029767) is N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2)c(Cl)c1.CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c(Cl)c1.CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3F)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2ccc(-c3ccccc3Cl)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2cncc(-c3cccs3)c2)c(Cl)c1.N#Cc1cccc(-c2cncc(C(=O)NCc3ccc(C#N)cc3Cl)c2)c1.
What is the InChIKey of N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is FHAREZRCCHMUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N3O2.C21H13ClN4O.C20H17Cl2N3O3S.C20H13Cl2N3O.2C20H17ClFN3O3S.C18H12ClN3OS/c22-18-9-13(10-26)1-2-15(18)11-28-20(29)16-5-8-19(27-12-16)14-3-6-17(7-4-14)30-21(23,24)25;22-20-7-15(10-24)4-5-17(20)13-26-21(27)19-8-18(11-25-12-19)16-3-1-2-14(6-16)9-23;1-23-29(27,28)17-8-4-14(18(22)10-17)11-25-20(26)15-5-9-19(24-12-15)13-2-6-16(21)7-3-13;21-17-4-2-1-3-16(17)19-8-7-15(12-24-19)20(26)25-11-14-6-5-13(10-23)9-18(14)22;1-23-29(27,28)17-8-4-14(18(21)10-17)11-25-20(26)15-5-9-19(24-12-15)13-2-6-16(22)7-3-13;1-23-29(27,28)15-8-6-13(17(21)10-15)11-25-20(26)14-7-9-19(24-12-14)16-4-2-3-5-18(16)22;19-16-6-12(8-20)3-4-13(16)11-22-18(23)15-7-14(9-21-10-15)17-2-1-5-24-17/h1-9,12H,11H2,(H,28,29);1-8,11-12H,13H2,(H,26,27);2-10,12,23H,11H2,1H3,(H,25,26);1-9,12H,11H2,(H,25,26);2*2-10,12,23H,11H2,1H3,(H,25,26);1-7,9-10H,11H2,(H,22,23).
What are the key properties of N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide?
N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 2858.83 g/mol, XLogP of 28.95, 35 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-(3-cyanophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 158029767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).