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

C144H202N30O16S7 — CID 157169061

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;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.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/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/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)/t;21-;;20-;/m.1.1./s1
InChIKeyANFZOVDOEQALKP-HXZQYRKSSA-N
MW2833.86 g/mol
LogP18.99
Rot. Bonds55

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;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;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 157169061) has the molecular formula C144H202N30O16S7 and a molecular weight of 2833.86 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;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;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 CID157169061
Molecular FormulaC144H202N30O16S7
Molecular Weight2833.86 g/mol
Exact Mass2831.40
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;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.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/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/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)/t;21-;;20-;/m.1.1./s1
InChIKeyANFZOVDOEQALKP-HXZQYRKSSA-N
XLogP18.99
TPSA505.78 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds55
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002833.86
LogP ≤ 518.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

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;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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
ethyl N-[2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrimidine-4-carbonylamino)thiophene-3-carbonyl]carbamate;N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,3-benzothiazole-2-carboxamide
CID 157592183
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-[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
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
7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-(2-hydroxyethyl)-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 159348149
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
7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 159629119
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

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;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;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) 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;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;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;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.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;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 ANFZOVDOEQALKP-HXZQYRKSSA-N. The full InChI is InChI=1S/C30H44N6O3S.C29H42N6O5S.C29H38N6O2S.C28H42N6O5S.C28H36N6OS3/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/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)/t;21-;;20-;/m.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;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;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 2833.86 g/mol, XLogP of 18.99, 55 rotatable bonds, 8 hydrogen bond donors, and 38 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;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 157169061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).