N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide

C236H344ClN45O25S7 — CID 159685287

IUPACN-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
SMILESC=CCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N(C)C(C)(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N(C)C(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N3CCCC3)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2cscn2)C(=O)CN2CCOC2=O)CC1.Cc1cccc(CN(C(=O)CC2CCCCC2)C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1.Cc1cccc(CN(C(=S)CC2CCOCC2)C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccccc2)C(=S)CC2CCCCC2)CC1
InChIInChI=1S/C32H47N5O2.C31H45N5O2S.C31H45N5OS.C30H46N6O4S.C29H42N6O4S.C29H44N6O4S.C28H40N6O4S.C26H35ClN6O4S/c1-23-9-8-12-28(19-23)21-37(30(38)20-27-10-6-5-7-11-27)29-14-17-36(18-15-29)24(2)13-16-33-32(39)31-25(3)34-22-35-26(31)4;1-22-6-5-7-27(18-22)20-36(29(39)19-26-11-16-38-17-12-26)28-9-14-35(15-10-28)23(2)8-13-32-31(37)30-24(3)33-21-34-25(30)4;1-23(14-17-32-31(37)30-24(2)33-22-34-25(30)3)35-18-15-28(16-19-35)36(21-27-12-8-5-9-13-27)29(38)20-26-10-6-4-7-11-26;1-20-17-25(28(38)34(7)30(4,5)6)32-22(3)26(20)27(37)31-13-9-21(2)35-14-10-24(11-15-35)36(29(39)33-40-8)18-23-12-16-41-19-23;1-20-17-25(28(37)34-12-5-6-13-34)31-22(3)26(20)27(36)30-11-7-21(2)33-14-8-24(9-15-33)35(29(38)32-39-4)18-23-10-16-40-19-23;1-19(2)33(6)28(37)25-16-20(3)26(22(5)31-25)27(36)30-12-8-21(4)34-13-9-24(10-14-34)35(29(38)32-39-7)17-23-11-15-40-18-23;1-6-11-29-26(35)24-16-19(2)25(21(4)31-24)27(36)30-12-7-20(3)33-13-8-23(9-14-33)34(28(37)32-38-5)17-22-10-15-39-18-22;1-17-12-22(27)30-19(3)24(17)25(35)28-7-4-18(2)31-8-5-21(6-9-31)33(13-20-15-38-16-29-20)23(34)14-32-10-11-37-26(32)36/h8-9,12,19,22,24,27,29H,5-7,10-11,13-18,20-21H2,1-4H3,(H,33,39);5-7,18,21,23,26,28H,8-17,19-20H2,1-4H3,(H,32,37);5,8-9,12-13,22-23,26,28H,4,6-7,10-11,14-21H2,1-3H3,(H,32,37);12,16-17,19,21,24H,9-11,13-15,18H2,1-8H3,(H,31,37)(H,33,39);10,16-17,19,21,24H,5-9,11-15,18H2,1-4H3,(H,30,36)(H,32,38);11,15-16,18-19,21,24H,8-10,12-14,17H2,1-7H3,(H,30,36)(H,32,38);6,10,15-16,18,20,23H,1,7-9,11-14,17H2,2-5H3,(H,29,35)(H,30,36)(H,32,37);12,15-16,18,21H,4-11,13-14H2,1-3H3,(H,28,35)/t;;;3*21-;20-;18-/m...11111/s1
InChIKeyMVSDKSMOPLORGW-QZGVCRTCSA-N
MW4471.56 g/mol
LogP35.05
Rot. Bonds83

About N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide

N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide (PubChem CID 159685287) has the molecular formula C236H344ClN45O25S7 and a molecular weight of 4471.56 g/mol. Its IUPAC name is N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound NameN-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
PubChem CID159685287
Molecular FormulaC236H344ClN45O25S7
Molecular Weight4471.56 g/mol
Exact Mass4467.48
IUPAC NameN-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
SMILESC=CCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N(C)C(C)(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N(C)C(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N3CCCC3)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2cscn2)C(=O)CN2CCOC2=O)CC1.Cc1cccc(CN(C(=O)CC2CCCCC2)C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1.Cc1cccc(CN(C(=S)CC2CCOCC2)C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccccc2)C(=S)CC2CCCCC2)CC1
InChIInChI=1S/C32H47N5O2.C31H45N5O2S.C31H45N5OS.C30H46N6O4S.C29H42N6O4S.C29H44N6O4S.C28H40N6O4S.C26H35ClN6O4S/c1-23-9-8-12-28(19-23)21-37(30(38)20-27-10-6-5-7-11-27)29-14-17-36(18-15-29)24(2)13-16-33-32(39)31-25(3)34-22-35-26(31)4;1-22-6-5-7-27(18-22)20-36(29(39)19-26-11-16-38-17-12-26)28-9-14-35(15-10-28)23(2)8-13-32-31(37)30-24(3)33-21-34-25(30)4;1-23(14-17-32-31(37)30-24(2)33-22-34-25(30)3)35-18-15-28(16-19-35)36(21-27-12-8-5-9-13-27)29(38)20-26-10-6-4-7-11-26;1-20-17-25(28(38)34(7)30(4,5)6)32-22(3)26(20)27(37)31-13-9-21(2)35-14-10-24(11-15-35)36(29(39)33-40-8)18-23-12-16-41-19-23;1-20-17-25(28(37)34-12-5-6-13-34)31-22(3)26(20)27(36)30-11-7-21(2)33-14-8-24(9-15-33)35(29(38)32-39-4)18-23-10-16-40-19-23;1-19(2)33(6)28(37)25-16-20(3)26(22(5)31-25)27(36)30-12-8-21(4)34-13-9-24(10-14-34)35(29(38)32-39-7)17-23-11-15-40-18-23;1-6-11-29-26(35)24-16-19(2)25(21(4)31-24)27(36)30-12-7-20(3)33-13-8-23(9-14-33)34(28(37)32-38-5)17-22-10-15-39-18-22;1-17-12-22(27)30-19(3)24(17)25(35)28-7-4-18(2)31-8-5-21(6-9-31)33(13-20-15-38-16-29-20)23(34)14-32-10-11-37-26(32)36/h8-9,12,19,22,24,27,29H,5-7,10-11,13-18,20-21H2,1-4H3,(H,33,39);5-7,18,21,23,26,28H,8-17,19-20H2,1-4H3,(H,32,37);5,8-9,12-13,22-23,26,28H,4,6-7,10-11,14-21H2,1-3H3,(H,32,37);12,16-17,19,21,24H,9-11,13-15,18H2,1-8H3,(H,31,37)(H,33,39);10,16-17,19,21,24H,5-9,11-15,18H2,1-4H3,(H,30,36)(H,32,38);11,15-16,18-19,21,24H,8-10,12-14,17H2,1-7H3,(H,30,36)(H,32,38);6,10,15-16,18,20,23H,1,7-9,11-14,17H2,2-5H3,(H,29,35)(H,30,36)(H,32,37);12,15-16,18,21H,4-11,13-14H2,1-3H3,(H,28,35)/t;;;3*21-;20-;18-/m...11111/s1
InChIKeyMVSDKSMOPLORGW-QZGVCRTCSA-N
XLogP35.05
TPSA755.58 Ų
H-Bond Donors13
H-Bond Acceptors52
Rotatable Bonds83
Heavy Atoms314
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004471.56
LogP ≤ 535.05
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1052

Analyze N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide?
The IUPAC name of N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide (CID 159685287) is N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide.
What is the SMILES notation for N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide?
The canonical SMILES for N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide is C=CCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N(C)C(C)(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N(C)C(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N3CCCC3)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2cscn2)C(=O)CN2CCOC2=O)CC1.Cc1cccc(CN(C(=O)CC2CCCCC2)C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1.Cc1cccc(CN(C(=S)CC2CCOCC2)C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccccc2)C(=S)CC2CCCCC2)CC1.
What is the InChIKey of N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide?
The InChIKey is MVSDKSMOPLORGW-QZGVCRTCSA-N. The full InChI is InChI=1S/C32H47N5O2.C31H45N5O2S.C31H45N5OS.C30H46N6O4S.C29H42N6O4S.C29H44N6O4S.C28H40N6O4S.C26H35ClN6O4S/c1-23-9-8-12-28(19-23)21-37(30(38)20-27-10-6-5-7-11-27)29-14-17-36(18-15-29)24(2)13-16-33-32(39)31-25(3)34-22-35-26(31)4;1-22-6-5-7-27(18-22)20-36(29(39)19-26-11-16-38-17-12-26)28-9-14-35(15-10-28)23(2)8-13-32-31(37)30-24(3)33-21-34-25(30)4;1-23(14-17-32-31(37)30-24(2)33-22-34-25(30)3)35-18-15-28(16-19-35)36(21-27-12-8-5-9-13-27)29(38)20-26-10-6-4-7-11-26;1-20-17-25(28(38)34(7)30(4,5)6)32-22(3)26(20)27(37)31-13-9-21(2)35-14-10-24(11-15-35)36(29(39)33-40-8)18-23-12-16-41-19-23;1-20-17-25(28(37)34-12-5-6-13-34)31-22(3)26(20)27(36)30-11-7-21(2)33-14-8-24(9-15-33)35(29(38)32-39-4)18-23-10-16-40-19-23;1-19(2)33(6)28(37)25-16-20(3)26(22(5)31-25)27(36)30-12-8-21(4)34-13-9-24(10-14-34)35(29(38)32-39-7)17-23-11-15-40-18-23;1-6-11-29-26(35)24-16-19(2)25(21(4)31-24)27(36)30-12-7-20(3)33-13-8-23(9-14-33)34(28(37)32-38-5)17-22-10-15-39-18-22;1-17-12-22(27)30-19(3)24(17)25(35)28-7-4-18(2)31-8-5-21(6-9-31)33(13-20-15-38-16-29-20)23(34)14-32-10-11-37-26(32)36/h8-9,12,19,22,24,27,29H,5-7,10-11,13-18,20-21H2,1-4H3,(H,33,39);5-7,18,21,23,26,28H,8-17,19-20H2,1-4H3,(H,32,37);5,8-9,12-13,22-23,26,28H,4,6-7,10-11,14-21H2,1-3H3,(H,32,37);12,16-17,19,21,24H,9-11,13-15,18H2,1-8H3,(H,31,37)(H,33,39);10,16-17,19,21,24H,5-9,11-15,18H2,1-4H3,(H,30,36)(H,32,38);11,15-16,18-19,21,24H,8-10,12-14,17H2,1-7H3,(H,30,36)(H,32,38);6,10,15-16,18,20,23H,1,7-9,11-14,17H2,2-5H3,(H,29,35)(H,30,36)(H,32,37);12,15-16,18,21H,4-11,13-14H2,1-3H3,(H,28,35)/t;;;3*21-;20-;18-/m...11111/s1.
What are the key properties of N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide?
N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide has a molecular weight of 4471.56 g/mol, XLogP of 35.05, 83 rotatable bonds, 13 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 159685287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).