3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide

C267H253F11N38O23 — CID 161204970

IUPAC3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)NC1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4cc5cnc(C)cc5n(C)c4=O)c3)cc(C(F)(F)F)c2)CC1.CCc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccccc3)ccc1C)c(=O)n2C.CCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccn3C)ccc1C)c(=O)n2C.COc1ccc(C(=O)Nc2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)cc1.Cc1cc(C)cc(C(=O)Nc2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)c1.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(F)cc(F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCC(N)CC4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCNC(=O)C4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccc(C)c(C)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccc(N(C)C)cc3)ccc1C)c(=O)n2C
InChIInChI=1S/C32H32F3N5O3.C30H30F3N5O2.C29H26F3N5O3.C26H26N4O2.2C26H25N3O2.C25H23N3O3.C25H23N3O2.C24H19F2N3O2.C24H24N4O2/c1-18-5-6-25(16-27(18)28-14-22-17-36-19(2)11-29(22)39(4)31(28)43)38-30(42)21-12-23(32(33,34)35)15-26(13-21)40-9-7-24(8-10-40)37-20(3)41;1-17-4-5-23(15-25(17)26-13-20-16-35-18(2)10-27(20)37(3)29(26)40)36-28(39)19-11-21(30(31,32)33)14-24(12-19)38-8-6-22(34)7-9-38;1-16-4-5-21(13-23(16)24-11-19-14-34-17(2)8-25(19)36(3)28(24)40)35-27(39)18-9-20(29(30,31)32)12-22(10-18)37-7-6-33-26(38)15-37;1-16-6-9-20(28-25(31)18-7-10-21(11-8-18)29(3)4)14-22(16)23-13-19-15-27-17(2)12-24(19)30(5)26(23)32;1-15-6-8-19(10-17(15)3)25(30)28-21-9-7-16(2)22(13-21)23-12-20-14-27-18(4)11-24(20)29(5)26(23)31;1-15-8-16(2)10-19(9-15)25(30)28-21-7-6-17(3)22(13-21)23-12-20-14-27-18(4)11-24(20)29(5)26(23)31;1-15-5-8-19(27-24(29)17-6-9-20(31-4)10-7-17)13-21(15)22-12-18-14-26-16(2)11-23(18)28(3)25(22)30;1-4-19-14-23-18(15-26-19)12-22(25(30)28(23)3)21-13-20(11-10-16(21)2)27-24(29)17-8-6-5-7-9-17;1-13-4-5-19(28-23(30)15-7-17(25)10-18(26)8-15)11-20(13)21-9-16-12-27-14(2)6-22(16)29(3)24(21)31;1-5-17-13-22-16(14-25-17)11-20(24(30)28(22)4)19-12-18(9-8-15(19)2)26-23(29)21-7-6-10-27(21)3/h5-6,11-17,24H,7-10H2,1-4H3,(H,37,41)(H,38,42);4-5,10-16,22H,6-9,34H2,1-3H3,(H,36,39);4-5,8-14H,6-7,15H2,1-3H3,(H,33,38)(H,35,39);6-15H,1-5H3,(H,28,31);2*6-14H,1-5H3,(H,28,30);5-14H,1-4H3,(H,27,29);5-15H,4H2,1-3H3,(H,27,29);4-12H,1-3H3,(H,28,30);6-14H,5H2,1-4H3,(H,26,29)
InChIKeyUVMASSFOLDPZJM-UHFFFAOYSA-N
MW4571.18 g/mol
LogP48.15
Rot. Bonds38

About 3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide

3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 161204970) has the molecular formula C267H253F11N38O23 and a molecular weight of 4571.18 g/mol. Its IUPAC name is 3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide
PubChem CID161204970
Molecular FormulaC267H253F11N38O23
Molecular Weight4571.18 g/mol
Exact Mass4567.96
IUPAC Name3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)NC1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4cc5cnc(C)cc5n(C)c4=O)c3)cc(C(F)(F)F)c2)CC1.CCc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccccc3)ccc1C)c(=O)n2C.CCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccn3C)ccc1C)c(=O)n2C.COc1ccc(C(=O)Nc2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)cc1.Cc1cc(C)cc(C(=O)Nc2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)c1.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(F)cc(F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCC(N)CC4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCNC(=O)C4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccc(C)c(C)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccc(N(C)C)cc3)ccc1C)c(=O)n2C
InChIInChI=1S/C32H32F3N5O3.C30H30F3N5O2.C29H26F3N5O3.C26H26N4O2.2C26H25N3O2.C25H23N3O3.C25H23N3O2.C24H19F2N3O2.C24H24N4O2/c1-18-5-6-25(16-27(18)28-14-22-17-36-19(2)11-29(22)39(4)31(28)43)38-30(42)21-12-23(32(33,34)35)15-26(13-21)40-9-7-24(8-10-40)37-20(3)41;1-17-4-5-23(15-25(17)26-13-20-16-35-18(2)10-27(20)37(3)29(26)40)36-28(39)19-11-21(30(31,32)33)14-24(12-19)38-8-6-22(34)7-9-38;1-16-4-5-21(13-23(16)24-11-19-14-34-17(2)8-25(19)36(3)28(24)40)35-27(39)18-9-20(29(30,31)32)12-22(10-18)37-7-6-33-26(38)15-37;1-16-6-9-20(28-25(31)18-7-10-21(11-8-18)29(3)4)14-22(16)23-13-19-15-27-17(2)12-24(19)30(5)26(23)32;1-15-6-8-19(10-17(15)3)25(30)28-21-9-7-16(2)22(13-21)23-12-20-14-27-18(4)11-24(20)29(5)26(23)31;1-15-8-16(2)10-19(9-15)25(30)28-21-7-6-17(3)22(13-21)23-12-20-14-27-18(4)11-24(20)29(5)26(23)31;1-15-5-8-19(27-24(29)17-6-9-20(31-4)10-7-17)13-21(15)22-12-18-14-26-16(2)11-23(18)28(3)25(22)30;1-4-19-14-23-18(15-26-19)12-22(25(30)28(23)3)21-13-20(11-10-16(21)2)27-24(29)17-8-6-5-7-9-17;1-13-4-5-19(28-23(30)15-7-17(25)10-18(26)8-15)11-20(13)21-9-16-12-27-14(2)6-22(16)29(3)24(21)31;1-5-17-13-22-16(14-25-17)11-20(24(30)28(22)4)19-12-18(9-8-15(19)2)26-23(29)21-7-6-10-27(21)3/h5-6,11-17,24H,7-10H2,1-4H3,(H,37,41)(H,38,42);4-5,10-16,22H,6-9,34H2,1-3H3,(H,36,39);4-5,8-14H,6-7,15H2,1-3H3,(H,33,38)(H,35,39);6-15H,1-5H3,(H,28,31);2*6-14H,1-5H3,(H,28,30);5-14H,1-4H3,(H,27,29);5-15H,4H2,1-3H3,(H,27,29);4-12H,1-3H3,(H,28,30);6-14H,5H2,1-4H3,(H,26,29)
InChIKeyUVMASSFOLDPZJM-UHFFFAOYSA-N
XLogP48.15
TPSA751.24 Ų
H-Bond Donors13
H-Bond Acceptors49
Rotatable Bonds38
Heavy Atoms339
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004571.18
LogP ≤ 548.15
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1049

Analyze 3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide (CID 161204970) is 3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide is CC(=O)NC1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4cc5cnc(C)cc5n(C)c4=O)c3)cc(C(F)(F)F)c2)CC1.CCc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccccc3)ccc1C)c(=O)n2C.CCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccn3C)ccc1C)c(=O)n2C.COc1ccc(C(=O)Nc2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)cc1.Cc1cc(C)cc(C(=O)Nc2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)c1.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(F)cc(F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCC(N)CC4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCNC(=O)C4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccc(C)c(C)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccc(N(C)C)cc3)ccc1C)c(=O)n2C.
What is the InChIKey of 3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is UVMASSFOLDPZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N5O3.C30H30F3N5O2.C29H26F3N5O3.C26H26N4O2.2C26H25N3O2.C25H23N3O3.C25H23N3O2.C24H19F2N3O2.C24H24N4O2/c1-18-5-6-25(16-27(18)28-14-22-17-36-19(2)11-29(22)39(4)31(28)43)38-30(42)21-12-23(32(33,34)35)15-26(13-21)40-9-7-24(8-10-40)37-20(3)41;1-17-4-5-23(15-25(17)26-13-20-16-35-18(2)10-27(20)37(3)29(26)40)36-28(39)19-11-21(30(31,32)33)14-24(12-19)38-8-6-22(34)7-9-38;1-16-4-5-21(13-23(16)24-11-19-14-34-17(2)8-25(19)36(3)28(24)40)35-27(39)18-9-20(29(30,31)32)12-22(10-18)37-7-6-33-26(38)15-37;1-16-6-9-20(28-25(31)18-7-10-21(11-8-18)29(3)4)14-22(16)23-13-19-15-27-17(2)12-24(19)30(5)26(23)32;1-15-6-8-19(10-17(15)3)25(30)28-21-9-7-16(2)22(13-21)23-12-20-14-27-18(4)11-24(20)29(5)26(23)31;1-15-8-16(2)10-19(9-15)25(30)28-21-7-6-17(3)22(13-21)23-12-20-14-27-18(4)11-24(20)29(5)26(23)31;1-15-5-8-19(27-24(29)17-6-9-20(31-4)10-7-17)13-21(15)22-12-18-14-26-16(2)11-23(18)28(3)25(22)30;1-4-19-14-23-18(15-26-19)12-22(25(30)28(23)3)21-13-20(11-10-16(21)2)27-24(29)17-8-6-5-7-9-17;1-13-4-5-19(28-23(30)15-7-17(25)10-18(26)8-15)11-20(13)21-9-16-12-27-14(2)6-22(16)29(3)24(21)31;1-5-17-13-22-16(14-25-17)11-20(24(30)28(22)4)19-12-18(9-8-15(19)2)26-23(29)21-7-6-10-27(21)3/h5-6,11-17,24H,7-10H2,1-4H3,(H,37,41)(H,38,42);4-5,10-16,22H,6-9,34H2,1-3H3,(H,36,39);4-5,8-14H,6-7,15H2,1-3H3,(H,33,38)(H,35,39);6-15H,1-5H3,(H,28,31);2*6-14H,1-5H3,(H,28,30);5-14H,1-4H3,(H,27,29);5-15H,4H2,1-3H3,(H,27,29);4-12H,1-3H3,(H,28,30);6-14H,5H2,1-4H3,(H,26,29).
What are the key properties of 3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide?
3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 4571.18 g/mol, XLogP of 48.15, 38 rotatable bonds, 13 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(4-aminopiperidin-1-yl)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;4-(dimethylamino)-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-difluorobenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,5-dimethylbenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-methoxybenzamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzamide;N-[3-(7-ethyl-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 161204970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).