6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide

C148H147ClFN15O22S7 — CID 159245922

IUPAC6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)nc1.CC(C)CCNC(=O)c1ccc(Oc2cccc(S(C)(=O)=O)c2)nc1.CC(C)CCNC(=O)c1ccc(Oc2ccccc2S(C)(=O)=O)nc1.CC(C)CCNC(=O)c1cncc(-c2cccc(C#N)c2)c1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(-c4cccc(Cl)c4)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4F)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3cncc(-c4cccs4)c3)cc2)cc1
InChIInChI=1S/C26H21ClN2O3S.C26H21FN2O3S.C24H20N2O3S2.C18H19N3O.3C18H22N2O4S/c1-33(31,32)24-12-9-20(10-13-24)19-7-5-18(6-8-19)16-29-26(30)22-11-14-25(28-17-22)21-3-2-4-23(27)15-21;1-33(31,32)22-13-10-20(11-14-22)19-8-6-18(7-9-19)16-29-26(30)21-12-15-25(28-17-21)23-4-2-3-5-24(23)27;1-31(28,29)22-10-8-19(9-11-22)18-6-4-17(5-7-18)14-26-24(27)21-13-20(15-25-16-21)23-3-2-12-30-23;1-13(2)6-7-21-18(22)17-9-16(11-20-12-17)15-5-3-4-14(8-15)10-19;1-13(2)10-11-19-18(21)14-4-9-17(20-12-14)24-15-5-7-16(8-6-15)25(3,22)23;1-13(2)9-10-19-18(21)14-7-8-17(20-12-14)24-15-5-4-6-16(11-15)25(3,22)23;1-13(2)10-11-19-18(21)14-8-9-17(20-12-14)24-15-6-4-5-7-16(15)25(3,22)23/h2*2-15,17H,16H2,1H3,(H,29,30);2-13,15-16H,14H2,1H3,(H,26,27);3-5,8-9,11-13H,6-7H2,1-2H3,(H,21,22);4-9,12-13H,10-11H2,1-3H3,(H,19,21);4-8,11-13H,9-10H2,1-3H3,(H,19,21);4-9,12-13H,10-11H2,1-3H3,(H,19,21)
InChIKeyKURIZYBMNNNXQD-UHFFFAOYSA-N
MW2766.81 g/mol
LogP27.66
Rot. Bonds44

About 6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide

6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 159245922) has the molecular formula C148H147ClFN15O22S7 and a molecular weight of 2766.81 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide
PubChem CID159245922
Molecular FormulaC148H147ClFN15O22S7
Molecular Weight2766.81 g/mol
Exact Mass2763.86
IUPAC Name6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)nc1.CC(C)CCNC(=O)c1ccc(Oc2cccc(S(C)(=O)=O)c2)nc1.CC(C)CCNC(=O)c1ccc(Oc2ccccc2S(C)(=O)=O)nc1.CC(C)CCNC(=O)c1cncc(-c2cccc(C#N)c2)c1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(-c4cccc(Cl)c4)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4F)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3cncc(-c4cccs4)c3)cc2)cc1
InChIInChI=1S/C26H21ClN2O3S.C26H21FN2O3S.C24H20N2O3S2.C18H19N3O.3C18H22N2O4S/c1-33(31,32)24-12-9-20(10-13-24)19-7-5-18(6-8-19)16-29-26(30)22-11-14-25(28-17-22)21-3-2-4-23(27)15-21;1-33(31,32)22-13-10-20(11-14-22)19-8-6-18(7-9-19)16-29-26(30)21-12-15-25(28-17-21)23-4-2-3-5-24(23)27;1-31(28,29)22-10-8-19(9-11-22)18-6-4-17(5-7-18)14-26-24(27)21-13-20(15-25-16-21)23-3-2-12-30-23;1-13(2)6-7-21-18(22)17-9-16(11-20-12-17)15-5-3-4-14(8-15)10-19;1-13(2)10-11-19-18(21)14-4-9-17(20-12-14)24-15-5-7-16(8-6-15)25(3,22)23;1-13(2)9-10-19-18(21)14-7-8-17(20-12-14)24-15-5-4-6-16(11-15)25(3,22)23;1-13(2)10-11-19-18(21)14-8-9-17(20-12-14)24-15-6-4-5-7-16(15)25(3,22)23/h2*2-15,17H,16H2,1H3,(H,29,30);2-13,15-16H,14H2,1H3,(H,26,27);3-5,8-9,11-13H,6-7H2,1-2H3,(H,21,22);4-9,12-13H,10-11H2,1-3H3,(H,19,21);4-8,11-13H,9-10H2,1-3H3,(H,19,21);4-9,12-13H,10-11H2,1-3H3,(H,19,21)
InChIKeyKURIZYBMNNNXQD-UHFFFAOYSA-N
XLogP27.66
TPSA550.25 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds44
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002766.81
LogP ≤ 527.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide (CID 159245922) is 6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide is CC(C)CCNC(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)nc1.CC(C)CCNC(=O)c1ccc(Oc2cccc(S(C)(=O)=O)c2)nc1.CC(C)CCNC(=O)c1ccc(Oc2ccccc2S(C)(=O)=O)nc1.CC(C)CCNC(=O)c1cncc(-c2cccc(C#N)c2)c1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(-c4cccc(Cl)c4)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4F)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3cncc(-c4cccs4)c3)cc2)cc1.
What is the InChIKey of 6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is KURIZYBMNNNXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O3S.C26H21FN2O3S.C24H20N2O3S2.C18H19N3O.3C18H22N2O4S/c1-33(31,32)24-12-9-20(10-13-24)19-7-5-18(6-8-19)16-29-26(30)22-11-14-25(28-17-22)21-3-2-4-23(27)15-21;1-33(31,32)22-13-10-20(11-14-22)19-8-6-18(7-9-19)16-29-26(30)21-12-15-25(28-17-21)23-4-2-3-5-24(23)27;1-31(28,29)22-10-8-19(9-11-22)18-6-4-17(5-7-18)14-26-24(27)21-13-20(15-25-16-21)23-3-2-12-30-23;1-13(2)6-7-21-18(22)17-9-16(11-20-12-17)15-5-3-4-14(8-15)10-19;1-13(2)10-11-19-18(21)14-4-9-17(20-12-14)24-15-5-7-16(8-6-15)25(3,22)23;1-13(2)9-10-19-18(21)14-7-8-17(20-12-14)24-15-5-4-6-16(11-15)25(3,22)23;1-13(2)10-11-19-18(21)14-8-9-17(20-12-14)24-15-6-4-5-7-16(15)25(3,22)23/h2*2-15,17H,16H2,1H3,(H,29,30);2-13,15-16H,14H2,1H3,(H,26,27);3-5,8-9,11-13H,6-7H2,1-2H3,(H,21,22);4-9,12-13H,10-11H2,1-3H3,(H,19,21);4-8,11-13H,9-10H2,1-3H3,(H,19,21);4-9,12-13H,10-11H2,1-3H3,(H,19,21).
What are the key properties of 6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide?
6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 2766.81 g/mol, XLogP of 27.66, 44 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;5-(3-cyanophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-(3-methylbutyl)-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 159245922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).