2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide

C149H137FN30O16 — CID 161183260

IUPAC2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1cc(C)cc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)c1.COc1cc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)cc(C)c1OC.COc1ccc(C)cc1Nc1ncccc1C(=O)NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1.COc1ccc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)c(OC)c1.O=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C31H30N6O4.C30H28N6O4.2C30H28N6O3.C28H23FN6O2/c1-21-15-23(17-28(39-2)29(21)40-3)34-30-27(13-8-14-32-30)31(38)33-18-24-20-37(36-35-24)19-22-9-7-12-26(16-22)41-25-10-5-4-6-11-25;1-38-24-13-14-27(28(17-24)39-2)33-29-26(12-7-15-31-29)30(37)32-18-22-20-36(35-34-22)19-21-8-6-11-25(16-21)40-23-9-4-3-5-10-23;1-21-13-14-28(38-2)27(16-21)33-29-26(12-7-15-31-29)30(37)32-18-23-20-36(35-34-23)19-22-8-6-11-25(17-22)39-24-9-4-3-5-10-24;1-21-14-23(17-27(15-21)38-2)33-29-28(12-7-13-31-29)30(37)32-18-24-20-36(35-34-24)19-22-8-6-11-26(16-22)39-25-9-4-3-5-10-25;29-21-8-5-9-22(16-21)32-27-26(13-6-14-30-27)28(36)31-17-23-19-35(34-33-23)18-20-7-4-12-25(15-20)37-24-10-2-1-3-11-24/h4-17,20H,18-19H2,1-3H3,(H,32,34)(H,33,38);3-17,20H,18-19H2,1-2H3,(H,31,33)(H,32,37);2*3-17,20H,18-19H2,1-2H3,(H,31,33)(H,32,37);1-16,19H,17-18H2,(H,30,32)(H,31,36)
InChIKeyUSTGCUGXNRSSRB-UHFFFAOYSA-N
MW2622.93 g/mol
LogP27.05
Rot. Bonds51

About 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide

2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 161183260) has the molecular formula C149H137FN30O16 and a molecular weight of 2622.93 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
PubChem CID161183260
Molecular FormulaC149H137FN30O16
Molecular Weight2622.93 g/mol
Exact Mass2621.08
IUPAC Name2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1cc(C)cc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)c1.COc1cc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)cc(C)c1OC.COc1ccc(C)cc1Nc1ncccc1C(=O)NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1.COc1ccc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)c(OC)c1.O=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C31H30N6O4.C30H28N6O4.2C30H28N6O3.C28H23FN6O2/c1-21-15-23(17-28(39-2)29(21)40-3)34-30-27(13-8-14-32-30)31(38)33-18-24-20-37(36-35-24)19-22-9-7-12-26(16-22)41-25-10-5-4-6-11-25;1-38-24-13-14-27(28(17-24)39-2)33-29-26(12-7-15-31-29)30(37)32-18-22-20-36(35-34-22)19-21-8-6-11-25(16-21)40-23-9-4-3-5-10-23;1-21-13-14-28(38-2)27(16-21)33-29-26(12-7-15-31-29)30(37)32-18-23-20-36(35-34-23)19-22-8-6-11-25(17-22)39-24-9-4-3-5-10-24;1-21-14-23(17-27(15-21)38-2)33-29-28(12-7-13-31-29)30(37)32-18-24-20-36(35-34-24)19-22-8-6-11-26(16-22)39-25-9-4-3-5-10-25;29-21-8-5-9-22(16-21)32-27-26(13-6-14-30-27)28(36)31-17-23-19-35(34-33-23)18-20-7-4-12-25(15-20)37-24-10-2-1-3-11-24/h4-17,20H,18-19H2,1-3H3,(H,32,34)(H,33,38);3-17,20H,18-19H2,1-2H3,(H,31,33)(H,32,37);2*3-17,20H,18-19H2,1-2H3,(H,31,33)(H,32,37);1-16,19H,17-18H2,(H,30,32)(H,31,36)
InChIKeyUSTGCUGXNRSSRB-UHFFFAOYSA-N
XLogP27.05
TPSA525.18 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds51
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002622.93
LogP ≤ 527.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Analyze 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide (CID 161183260) is 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide is COc1cc(C)cc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)c1.COc1cc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)cc(C)c1OC.COc1ccc(C)cc1Nc1ncccc1C(=O)NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1.COc1ccc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)c(OC)c1.O=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)c1cccnc1Nc1cccc(F)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is USTGCUGXNRSSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O4.C30H28N6O4.2C30H28N6O3.C28H23FN6O2/c1-21-15-23(17-28(39-2)29(21)40-3)34-30-27(13-8-14-32-30)31(38)33-18-24-20-37(36-35-24)19-22-9-7-12-26(16-22)41-25-10-5-4-6-11-25;1-38-24-13-14-27(28(17-24)39-2)33-29-26(12-7-15-31-29)30(37)32-18-22-20-36(35-34-22)19-21-8-6-11-25(16-21)40-23-9-4-3-5-10-23;1-21-13-14-28(38-2)27(16-21)33-29-26(12-7-15-31-29)30(37)32-18-23-20-36(35-34-23)19-22-8-6-11-25(17-22)39-24-9-4-3-5-10-24;1-21-14-23(17-27(15-21)38-2)33-29-28(12-7-13-31-29)30(37)32-18-24-20-36(35-34-24)19-22-8-6-11-26(16-22)39-25-9-4-3-5-10-25;29-21-8-5-9-22(16-21)32-27-26(13-6-14-30-27)28(36)31-17-23-19-35(34-33-23)18-20-7-4-12-25(15-20)37-24-10-2-1-3-11-24/h4-17,20H,18-19H2,1-3H3,(H,32,34)(H,33,38);3-17,20H,18-19H2,1-2H3,(H,31,33)(H,32,37);2*3-17,20H,18-19H2,1-2H3,(H,31,33)(H,32,37);1-16,19H,17-18H2,(H,30,32)(H,31,36).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide?
2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 2622.93 g/mol, XLogP of 27.05, 51 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3,4-dimethoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(2-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide;2-(3-methoxy-5-methylanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 161183260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).