N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

C122H102Cl4F21N15O23S4 — CID 159167151

IUPACN-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cc(Cl)ccc1CNC(=O)c1ccc(OCC(F)(F)F)nc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(OCC(F)(F)F)nc3)cc2)cc1.CS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCC(F)(F)F)nc2)cc1.CS(=O)(=O)c1ccccc1CNC(=O)c1ccc(OCC(F)(F)F)nc1.N#Cc1ccc(CNC(=O)c2ccc(OCC(F)(F)F)nc2)c(Cl)c1.O=C(NCc1ccc(Cl)cc1Cl)c1ccnc(OCc2ccccc2)c1.O=C(NCc1ccccc1OC(F)(F)F)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C22H19F3N2O4S.C20H16Cl2N2O2.C16H11ClF3N3O2.C16H14ClF3N2O4S.C16H12F6N2O3.2C16H15F3N2O4S/c1-32(29,30)19-9-6-17(7-10-19)16-4-2-15(3-5-16)12-27-21(28)18-8-11-20(26-13-18)31-14-22(23,24)25;21-17-7-6-16(18(22)11-17)12-24-20(25)15-8-9-23-19(10-15)26-13-14-4-2-1-3-5-14;17-13-5-10(6-21)1-2-11(13)7-23-15(24)12-3-4-14(22-8-12)25-9-16(18,19)20;1-27(24,25)13-6-12(17)4-2-10(13)7-22-15(23)11-3-5-14(21-8-11)26-9-16(18,19)20;17-15(18,19)9-26-13-6-5-11(8-23-13)14(25)24-7-10-3-1-2-4-12(10)27-16(20,21)22;1-26(23,24)13-5-2-11(3-6-13)8-21-15(22)12-4-7-14(20-9-12)25-10-16(17,18)19;1-26(23,24)13-5-3-2-4-11(13)8-21-15(22)12-6-7-14(20-9-12)25-10-16(17,18)19/h2-11,13H,12,14H2,1H3,(H,27,28);1-11H,12-13H2,(H,24,25);1-5,8H,7,9H2,(H,23,24);2-6,8H,7,9H2,1H3,(H,22,23);1-6,8H,7,9H2,(H,24,25);2*2-7,9H,8,10H2,1H3,(H,21,22)
InChIKeyKLFGRXYIBUDBPL-UHFFFAOYSA-N
MW2815.28 g/mol
LogP23.97
Rot. Bonds42

About N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 159167151) has the molecular formula C122H102Cl4F21N15O23S4 and a molecular weight of 2815.28 g/mol. Its IUPAC name is N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID159167151
Molecular FormulaC122H102Cl4F21N15O23S4
Molecular Weight2815.28 g/mol
Exact Mass2811.46
IUPAC NameN-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cc(Cl)ccc1CNC(=O)c1ccc(OCC(F)(F)F)nc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(OCC(F)(F)F)nc3)cc2)cc1.CS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCC(F)(F)F)nc2)cc1.CS(=O)(=O)c1ccccc1CNC(=O)c1ccc(OCC(F)(F)F)nc1.N#Cc1ccc(CNC(=O)c2ccc(OCC(F)(F)F)nc2)c(Cl)c1.O=C(NCc1ccc(Cl)cc1Cl)c1ccnc(OCc2ccccc2)c1.O=C(NCc1ccccc1OC(F)(F)F)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C22H19F3N2O4S.C20H16Cl2N2O2.C16H11ClF3N3O2.C16H14ClF3N2O4S.C16H12F6N2O3.2C16H15F3N2O4S/c1-32(29,30)19-9-6-17(7-10-19)16-4-2-15(3-5-16)12-27-21(28)18-8-11-20(26-13-18)31-14-22(23,24)25;21-17-7-6-16(18(22)11-17)12-24-20(25)15-8-9-23-19(10-15)26-13-14-4-2-1-3-5-14;17-13-5-10(6-21)1-2-11(13)7-23-15(24)12-3-4-14(22-8-12)25-9-16(18,19)20;1-27(24,25)13-6-12(17)4-2-10(13)7-22-15(23)11-3-5-14(21-8-11)26-9-16(18,19)20;17-15(18,19)9-26-13-6-5-11(8-23-13)14(25)24-7-10-3-1-2-4-12(10)27-16(20,21)22;1-26(23,24)13-5-2-11(3-6-13)8-21-15(22)12-4-7-14(20-9-12)25-10-16(17,18)19;1-26(23,24)13-5-3-2-4-11(13)8-21-15(22)12-6-7-14(20-9-12)25-10-16(17,18)19/h2-11,13H,12,14H2,1H3,(H,27,28);1-11H,12-13H2,(H,24,25);1-5,8H,7,9H2,(H,23,24);2-6,8H,7,9H2,1H3,(H,22,23);1-6,8H,7,9H2,(H,24,25);2*2-7,9H,8,10H2,1H3,(H,21,22)
InChIKeyKLFGRXYIBUDBPL-UHFFFAOYSA-N
XLogP23.97
TPSA528.12 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds42
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002815.28
LogP ≤ 523.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]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-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 159167151) is N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is CS(=O)(=O)c1cc(Cl)ccc1CNC(=O)c1ccc(OCC(F)(F)F)nc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(OCC(F)(F)F)nc3)cc2)cc1.CS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCC(F)(F)F)nc2)cc1.CS(=O)(=O)c1ccccc1CNC(=O)c1ccc(OCC(F)(F)F)nc1.N#Cc1ccc(CNC(=O)c2ccc(OCC(F)(F)F)nc2)c(Cl)c1.O=C(NCc1ccc(Cl)cc1Cl)c1ccnc(OCc2ccccc2)c1.O=C(NCc1ccccc1OC(F)(F)F)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is KLFGRXYIBUDBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S.C20H16Cl2N2O2.C16H11ClF3N3O2.C16H14ClF3N2O4S.C16H12F6N2O3.2C16H15F3N2O4S/c1-32(29,30)19-9-6-17(7-10-19)16-4-2-15(3-5-16)12-27-21(28)18-8-11-20(26-13-18)31-14-22(23,24)25;21-17-7-6-16(18(22)11-17)12-24-20(25)15-8-9-23-19(10-15)26-13-14-4-2-1-3-5-14;17-13-5-10(6-21)1-2-11(13)7-23-15(24)12-3-4-14(22-8-12)25-9-16(18,19)20;1-27(24,25)13-6-12(17)4-2-10(13)7-22-15(23)11-3-5-14(21-8-11)26-9-16(18,19)20;17-15(18,19)9-26-13-6-5-11(8-23-13)14(25)24-7-10-3-1-2-4-12(10)27-16(20,21)22;1-26(23,24)13-5-2-11(3-6-13)8-21-15(22)12-4-7-14(20-9-12)25-10-16(17,18)19;1-26(23,24)13-5-3-2-4-11(13)8-21-15(22)12-6-7-14(20-9-12)25-10-16(17,18)19/h2-11,13H,12,14H2,1H3,(H,27,28);1-11H,12-13H2,(H,24,25);1-5,8H,7,9H2,(H,23,24);2-6,8H,7,9H2,1H3,(H,22,23);1-6,8H,7,9H2,(H,24,25);2*2-7,9H,8,10H2,1H3,(H,21,22).
What are the key properties of N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 2815.28 g/mol, XLogP of 23.97, 42 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-cyanophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-chloro-2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2-phenylmethoxypyridine-4-carboxamide;N-[(2-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[(4-methylsulfonylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;6-(2,2,2-trifluoroethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 159167151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).