N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide

C171H242N36O20S8 — CID 158678835

IUPACN-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide
SMILESCC(=O)N1CCC(CC(=O)N(Cc2ccsc2)C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)CC1.CCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.COCCNC(=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)N3CCOCC3)nc2C)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CCc2ccncc2)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=S)CSc2ccncc2)CC1
InChIInChI=1S/C30H44N6O3S.C29H42N6O5S.C29H38N6O2S.C28H42N6O5S.C28H36N6OS3.C27H40N6O4S/c1-21(5-11-31-30(39)29-22(2)32-20-33-23(29)3)34-14-8-27(9-15-34)36(18-26-10-16-40-19-26)28(38)17-25-6-12-35(13-7-25)24(4)37;1-20-17-25(28(37)34-12-14-40-15-13-34)31-22(3)26(20)27(36)30-9-5-21(2)33-10-6-24(7-11-33)35(29(38)32-39-4)18-23-8-16-41-19-23;1-21(6-14-31-29(37)28-22(2)32-20-33-23(28)3)34-15-9-26(10-16-34)35(18-25-11-17-38-19-25)27(36)5-4-24-7-12-30-13-8-24;1-19-16-24(26(35)30-11-14-38-4)31-21(3)25(19)27(36)29-10-6-20(2)33-12-7-23(8-13-33)34(28(37)32-39-5)17-22-9-15-40-18-22;1-20(4-12-30-28(35)27-21(2)31-19-32-22(27)3)33-13-7-24(8-14-33)34(16-23-9-15-37-17-23)26(36)18-38-25-5-10-29-11-6-25;1-6-28-25(34)23-15-18(2)24(20(4)30-23)26(35)29-11-7-19(3)32-12-8-22(9-13-32)33(27(36)31-37-5)16-21-10-14-38-17-21/h10,16,19-21,25,27H,5-9,11-15,17-18H2,1-4H3,(H,31,39);8,16-17,19,21,24H,5-7,9-15,18H2,1-4H3,(H,30,36)(H,32,38);7-8,11-13,17,19-21,26H,4-6,9-10,14-16,18H2,1-3H3,(H,31,37);9,15-16,18,20,23H,6-8,10-14,17H2,1-5H3,(H,29,36)(H,30,35)(H,32,37);5-6,9-11,15,17,19-20,24H,4,7-8,12-14,16,18H2,1-3H3,(H,30,35);10,14-15,17,19,22H,6-9,11-13,16H2,1-5H3,(H,28,34)(H,29,35)(H,31,36)/t;21-;;20-;;19-/m.1.1.1/s1
InChIKeyIEWAFKOKDNVRBH-DZRKXIQMSA-N
MW3378.58 g/mol
LogP22.25
Rot. Bonds66

About N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide

N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide (PubChem CID 158678835) has the molecular formula C171H242N36O20S8 and a molecular weight of 3378.58 g/mol. Its IUPAC name is N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound NameN-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide
PubChem CID158678835
Molecular FormulaC171H242N36O20S8
Molecular Weight3378.58 g/mol
Exact Mass3375.68
IUPAC NameN-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide
SMILESCC(=O)N1CCC(CC(=O)N(Cc2ccsc2)C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)CC1.CCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.COCCNC(=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)N3CCOCC3)nc2C)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CCc2ccncc2)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=S)CSc2ccncc2)CC1
InChIInChI=1S/C30H44N6O3S.C29H42N6O5S.C29H38N6O2S.C28H42N6O5S.C28H36N6OS3.C27H40N6O4S/c1-21(5-11-31-30(39)29-22(2)32-20-33-23(29)3)34-14-8-27(9-15-34)36(18-26-10-16-40-19-26)28(38)17-25-6-12-35(13-7-25)24(4)37;1-20-17-25(28(37)34-12-14-40-15-13-34)31-22(3)26(20)27(36)30-9-5-21(2)33-10-6-24(7-11-33)35(29(38)32-39-4)18-23-8-16-41-19-23;1-21(6-14-31-29(37)28-22(2)32-20-33-23(28)3)34-15-9-26(10-16-34)35(18-25-11-17-38-19-25)27(36)5-4-24-7-12-30-13-8-24;1-19-16-24(26(35)30-11-14-38-4)31-21(3)25(19)27(36)29-10-6-20(2)33-12-7-23(8-13-33)34(28(37)32-39-5)17-22-9-15-40-18-22;1-20(4-12-30-28(35)27-21(2)31-19-32-22(27)3)33-13-7-24(8-14-33)34(16-23-9-15-37-17-23)26(36)18-38-25-5-10-29-11-6-25;1-6-28-25(34)23-15-18(2)24(20(4)30-23)26(35)29-11-7-19(3)32-12-8-22(9-13-32)33(27(36)31-37-5)16-21-10-14-38-17-21/h10,16,19-21,25,27H,5-9,11-15,17-18H2,1-4H3,(H,31,39);8,16-17,19,21,24H,5-7,9-15,18H2,1-4H3,(H,30,36)(H,32,38);7-8,11-13,17,19-21,26H,4-6,9-10,14-16,18H2,1-3H3,(H,31,37);9,15-16,18,20,23H,6-8,10-14,17H2,1-5H3,(H,29,36)(H,30,35)(H,32,37);5-6,9-11,15,17,19-20,24H,4,7-8,12-14,16,18H2,1-3H3,(H,30,35);10,14-15,17,19,22H,6-9,11-13,16H2,1-5H3,(H,28,34)(H,29,35)(H,31,36)/t;21-;;20-;;19-/m.1.1.1/s1
InChIKeyIEWAFKOKDNVRBH-DZRKXIQMSA-N
XLogP22.25
TPSA621.68 Ų
H-Bond Donors11
H-Bond Acceptors45
Rotatable Bonds66
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003378.58
LogP ≤ 522.25
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide with MolForge

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Related Compounds

N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide
CID 158278199
N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide
CID 157169061
N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 158598541
N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 158887180
5-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;1-[4-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone;N-(2-methoxyethyl)-N,5-dimethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;5-methyl-N-(3-methylsulfanylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N,N-bis(prop-2-enyl)pyrazole-4-carboxamide;(4-methylpiperazin-1-yl)-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone
CID 159113659
N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide
CID 159268043
5-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]anilino]pyrimidin-4-yl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide;5-[2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 159396922
N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;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;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;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
CID 159635815
CID 159685287
CID 159685287
N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;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 159691611
2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide
CID 159937303
(5Z)-5-[[2-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]imidazolidine-2,4-dione;6-thiophen-3-ylpyridine-2-carbaldehyde;(5Z)-5-[[2-[4-[[(6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]imidazolidine-2,4-dione
CID 161248352

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide?
The IUPAC name of N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide (CID 158678835) is N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide.
What is the SMILES notation for N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide?
The canonical SMILES for N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide is CC(=O)N1CCC(CC(=O)N(Cc2ccsc2)C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)CC1.CCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.COCCNC(=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)N3CCOCC3)nc2C)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CCc2ccncc2)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=S)CSc2ccncc2)CC1.
What is the InChIKey of N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide?
The InChIKey is IEWAFKOKDNVRBH-DZRKXIQMSA-N. The full InChI is InChI=1S/C30H44N6O3S.C29H42N6O5S.C29H38N6O2S.C28H42N6O5S.C28H36N6OS3.C27H40N6O4S/c1-21(5-11-31-30(39)29-22(2)32-20-33-23(29)3)34-14-8-27(9-15-34)36(18-26-10-16-40-19-26)28(38)17-25-6-12-35(13-7-25)24(4)37;1-20-17-25(28(37)34-12-14-40-15-13-34)31-22(3)26(20)27(36)30-9-5-21(2)33-10-6-24(7-11-33)35(29(38)32-39-4)18-23-8-16-41-19-23;1-21(6-14-31-29(37)28-22(2)32-20-33-23(28)3)34-15-9-26(10-16-34)35(18-25-11-17-38-19-25)27(36)5-4-24-7-12-30-13-8-24;1-19-16-24(26(35)30-11-14-38-4)31-21(3)25(19)27(36)29-10-6-20(2)33-12-7-23(8-13-33)34(28(37)32-39-5)17-22-9-15-40-18-22;1-20(4-12-30-28(35)27-21(2)31-19-32-22(27)3)33-13-7-24(8-14-33)34(16-23-9-15-37-17-23)26(36)18-38-25-5-10-29-11-6-25;1-6-28-25(34)23-15-18(2)24(20(4)30-23)26(35)29-11-7-19(3)32-12-8-22(9-13-32)33(27(36)31-37-5)16-21-10-14-38-17-21/h10,16,19-21,25,27H,5-9,11-15,17-18H2,1-4H3,(H,31,39);8,16-17,19,21,24H,5-7,9-15,18H2,1-4H3,(H,30,36)(H,32,38);7-8,11-13,17,19-21,26H,4-6,9-10,14-16,18H2,1-3H3,(H,31,37);9,15-16,18,20,23H,6-8,10-14,17H2,1-5H3,(H,29,36)(H,30,35)(H,32,37);5-6,9-11,15,17,19-20,24H,4,7-8,12-14,16,18H2,1-3H3,(H,30,35);10,14-15,17,19,22H,6-9,11-13,16H2,1-5H3,(H,28,34)(H,29,35)(H,31,36)/t;21-;;20-;;19-/m.1.1.1/s1.
What are the key properties of N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide?
N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide has a molecular weight of 3378.58 g/mol, XLogP of 22.25, 66 rotatable bonds, 11 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-4-ylsulfanylethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 158678835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).