4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

C161H136F12N32O25 — CID 158875074

About 4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 158875074) has the molecular formula C161H136F12N32O25 and a molecular weight of 3147.03 g/mol. Its IUPAC name is 4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
• PubChem CID: 158875074
• Molecular Formula: C161H136F12N32O25
• Molecular Weight: 3147.03 g/mol
• Exact Mass: 3145.02
• IUPAC Name: 4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
• SMILES: C/C=C/C(=O)c1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(-n2cnc(C)c2)c1.C=CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(OC(F)(F)F)c1.CC#CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(-n2cnc(C)c2)c1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(=O)C=C(C)C)cc(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4c(F)ccnc4F)cc3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4cccnc4F)c(C(F)(F)F)c3)cc2)ccn1
• InChI: InChI=1S/C28H21F4N5O4.C28H25N7O4.C28H26N6O4.C27H21F2N5O4.C26H23F3N4O4.C24H20F3N5O5/c1-33-26(39)23-15-20(10-12-34-23)41-19-8-6-17(7-9-19)36-27(40)37-18-5-4-16(22(14-18)28(30,31)32)13-24(38)21-3-2-11-35-25(21)29;1-4-5-26(36)32-20-12-21(14-22(13-20)35-16-18(2)31-17-35)34-28(38)33-19-6-8-23(9-7-19)39-24-10-11-30-25(15-24)27(37)29-3;1-4-5-26(35)19-12-21(14-22(13-19)34-16-18(2)31-17-34)33-28(37)32-20-6-8-23(9-7-20)38-24-10-11-30-25(15-24)27(36)29-3;1-30-26(36)22-15-20(10-12-31-22)38-19-8-6-18(7-9-19)34-27(37)33-17-4-2-16(3-5-17)14-23(35)24-21(28)11-13-32-25(24)29;1-15(2)10-23(34)16-11-17(26(27,28)29)13-19(12-16)33-25(36)32-18-4-6-20(7-5-18)37-21-8-9-31-22(14-21)24(35)30-3;1-3-21(33)30-15-10-16(12-19(11-15)37-24(25,26)27)32-23(35)31-14-4-6-17(7-5-14)36-18-8-9-29-20(13-18)22(34)28-2/h2-12,14-15H,13H2,1H3,(H,33,39)(H2,36,37,40);6-17H,1-3H3,(H,29,37)(H,32,36)(H2,33,34,38);4-17H,1-3H3,(H,29,36)(H2,32,33,37);2-13,15H,14H2,1H3,(H,30,36)(H2,33,34,37);4-14H,1-3H3,(H,30,35)(H2,32,33,36);3-13H,1H2,2H3,(H,28,34)(H,30,33)(H2,31,32,35)/b;;5-4+
• InChIKey: JCIHFSOKKLQKBQ-BILNIXKCSA-N
• XLogP: 31.24
• TPSA: 751.23 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 37
• Rotatable Bonds: 46
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3147.03
LogP ≤ 5	31.24
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?

The IUPAC name of 4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 158875074) is 4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

What is the SMILES notation for 4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?

The canonical SMILES for 4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is C/C=C/C(=O)c1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(-n2cnc(C)c2)c1.C=CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(OC(F)(F)F)c1.CC#CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(-n2cnc(C)c2)c1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(=O)C=C(C)C)cc(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4c(F)ccnc4F)cc3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4cccnc4F)c(C(F)(F)F)c3)cc2)ccn1.

What is the InChIKey of 4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?

The InChIKey is JCIHFSOKKLQKBQ-BILNIXKCSA-N. The full InChI is InChI=1S/C28H21F4N5O4.C28H25N7O4.C28H26N6O4.C27H21F2N5O4.C26H23F3N4O4.C24H20F3N5O5/c1-33-26(39)23-15-20(10-12-34-23)41-19-8-6-17(7-9-19)36-27(40)37-18-5-4-16(22(14-18)28(30,31)32)13-24(38)21-3-2-11-35-25(21)29;1-4-5-26(36)32-20-12-21(14-22(13-20)35-16-18(2)31-17-35)34-28(38)33-19-6-8-23(9-7-19)39-24-10-11-30-25(15-24)27(37)29-3;1-4-5-26(35)19-12-21(14-22(13-19)34-16-18(2)31-17-34)33-28(37)32-20-6-8-23(9-7-20)38-24-10-11-30-25(15-24)27(36)29-3;1-30-26(36)22-15-20(10-12-31-22)38-19-8-6-18(7-9-19)34-27(37)33-17-4-2-16(3-5-17)14-23(35)24-21(28)11-13-32-25(24)29;1-15(2)10-23(34)16-11-17(26(27,28)29)13-19(12-16)33-25(36)32-18-4-6-20(7-5-18)37-21-8-9-31-22(14-21)24(35)30-3;1-3-21(33)30-15-10-16(12-19(11-15)37-24(25,26)27)32-23(35)31-14-4-6-17(7-5-14)36-18-8-9-29-20(13-18)22(34)28-2/h2-12,14-15H,13H2,1H3,(H,33,39)(H2,36,37,40);6-17H,1-3H3,(H,29,37)(H,32,36)(H2,33,34,38);4-17H,1-3H3,(H,29,36)(H2,32,33,37);2-13,15H,14H2,1H3,(H,30,36)(H2,33,34,37);4-14H,1-3H3,(H,30,35)(H2,32,33,36);3-13H,1H2,2H3,(H,28,34)(H,30,33)(H2,31,32,35)/b;;5-4+;;;.

What are the key properties of 4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?

4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 3147.03 g/mol, XLogP of 31.24, 46 rotatable bonds, 20 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 158875074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).