2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate

C160H226Cl6N30O18S6 — CID 159656421

IUPAC2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate
SMILESCCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.COC(=O)CCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(-n3ccc(C)n3)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(CC(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(NC(=O)NC(C)C)cc2C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(C)C)CC1
InChIInChI=1S/C29H44N6O4S.C28H39N7O3S.C28H43N5O3S.C26H34Cl2N4O4S.C25H34Cl2N4O2S.C24H32Cl2N4O2S/c1-19(2)31-28(37)32-24-15-20(3)26(21(4)16-24)27(36)30-11-7-22(5)34-12-8-25(9-13-34)35(29(38)33-39-6)17-23-10-14-40-18-23;1-19-16-25(35-14-7-20(2)31-35)30-22(4)26(19)27(36)29-11-6-21(3)33-12-8-24(9-13-33)34(28(37)32-38-5)17-23-10-15-39-18-23;1-19(2)15-24-16-20(3)26(22(5)30-24)27(34)29-11-7-21(4)32-12-8-25(9-13-32)33(28(35)31-36-6)17-23-10-14-37-18-23;1-17-14-21(27)30-25(28)24(17)26(35)29-10-6-18(2)31-11-7-20(8-12-31)32(15-19-9-13-37-16-19)22(33)4-5-23(34)36-3;1-16(2)25(33)31(14-19-8-12-34-15-19)20-6-10-30(11-7-20)18(4)5-9-28-24(32)22-17(3)13-21(26)29-23(22)27;1-4-21(31)30(14-18-8-12-33-15-18)19-6-10-29(11-7-19)17(3)5-9-27-24(32)22-16(2)13-20(25)28-23(22)26/h10,14-16,18-19,22,25H,7-9,11-13,17H2,1-6H3,(H,30,36)(H,33,38)(H2,31,32,37);7,10,14-16,18,21,24H,6,8-9,11-13,17H2,1-5H3,(H,29,36)(H,32,37);10,14,16,18-19,21,25H,7-9,11-13,15,17H2,1-6H3,(H,29,34)(H,31,35);9,13-14,16,18,20H,4-8,10-12,15H2,1-3H3,(H,29,35);8,12-13,15-16,18,20H,5-7,9-11,14H2,1-4H3,(H,28,32);8,12-13,15,17,19H,4-7,9-11,14H2,1-3H3,(H,27,32)/t22-;2*21-;2*18-;17-/m111111/s1
InChIKeyMSFVGBLFELVUNW-PMNUOYLYSA-N
MW3262.88 g/mol
LogP28.64
Rot. Bonds61

About 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate

2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate (PubChem CID 159656421) has the molecular formula C160H226Cl6N30O18S6 and a molecular weight of 3262.88 g/mol. Its IUPAC name is 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Name2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate
PubChem CID159656421
Molecular FormulaC160H226Cl6N30O18S6
Molecular Weight3262.88 g/mol
Exact Mass3257.41
IUPAC Name2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate
SMILESCCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.COC(=O)CCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(-n3ccc(C)n3)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(CC(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(NC(=O)NC(C)C)cc2C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(C)C)CC1
InChIInChI=1S/C29H44N6O4S.C28H39N7O3S.C28H43N5O3S.C26H34Cl2N4O4S.C25H34Cl2N4O2S.C24H32Cl2N4O2S/c1-19(2)31-28(37)32-24-15-20(3)26(21(4)16-24)27(36)30-11-7-22(5)34-12-8-25(9-13-34)35(29(38)33-39-6)17-23-10-14-40-18-23;1-19-16-25(35-14-7-20(2)31-35)30-22(4)26(19)27(36)29-11-6-21(3)33-12-8-24(9-13-33)34(28(37)32-38-5)17-23-10-15-39-18-23;1-19(2)15-24-16-20(3)26(22(5)30-24)27(34)29-11-7-21(4)32-12-8-25(9-13-32)33(28(35)31-36-6)17-23-10-14-37-18-23;1-17-14-21(27)30-25(28)24(17)26(35)29-10-6-18(2)31-11-7-20(8-12-31)32(15-19-9-13-37-16-19)22(33)4-5-23(34)36-3;1-16(2)25(33)31(14-19-8-12-34-15-19)20-6-10-30(11-7-20)18(4)5-9-28-24(32)22-17(3)13-21(26)29-23(22)27;1-4-21(31)30(14-18-8-12-33-15-18)19-6-10-29(11-7-19)17(3)5-9-27-24(32)22-16(2)13-20(25)28-23(22)26/h10,14-16,18-19,22,25H,7-9,11-13,17H2,1-6H3,(H,30,36)(H,33,38)(H2,31,32,37);7,10,14-16,18,21,24H,6,8-9,11-13,17H2,1-5H3,(H,29,36)(H,32,37);10,14,16,18-19,21,25H,7-9,11-13,15,17H2,1-6H3,(H,29,34)(H,31,35);9,13-14,16,18,20H,4-8,10-12,15H2,1-3H3,(H,29,35);8,12-13,15-16,18,20H,5-7,9-11,14H2,1-4H3,(H,28,32);8,12-13,15,17,19H,4-7,9-11,14H2,1-3H3,(H,27,32)/t22-;2*21-;2*18-;17-/m111111/s1
InChIKeyMSFVGBLFELVUNW-PMNUOYLYSA-N
XLogP28.64
TPSA529.38 Ų
H-Bond Donors11
H-Bond Acceptors37
Rotatable Bonds61
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003262.88
LogP ≤ 528.64
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate with MolForge

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Related Compounds

2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate
CID 157864471
2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate
CID 159152065
N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide
CID 160211126
N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 161499686

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate?
The IUPAC name of 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate (CID 159656421) is 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate.
What is the SMILES notation for 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate?
The canonical SMILES for 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate is CCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.COC(=O)CCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(-n3ccc(C)n3)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(CC(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(NC(=O)NC(C)C)cc2C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(C)C)CC1.
What is the InChIKey of 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate?
The InChIKey is MSFVGBLFELVUNW-PMNUOYLYSA-N. The full InChI is InChI=1S/C29H44N6O4S.C28H39N7O3S.C28H43N5O3S.C26H34Cl2N4O4S.C25H34Cl2N4O2S.C24H32Cl2N4O2S/c1-19(2)31-28(37)32-24-15-20(3)26(21(4)16-24)27(36)30-11-7-22(5)34-12-8-25(9-13-34)35(29(38)33-39-6)17-23-10-14-40-18-23;1-19-16-25(35-14-7-20(2)31-35)30-22(4)26(19)27(36)29-11-6-21(3)33-12-8-24(9-13-33)34(28(37)32-38-5)17-23-10-15-39-18-23;1-19(2)15-24-16-20(3)26(22(5)30-24)27(34)29-11-7-21(4)32-12-8-25(9-13-32)33(28(35)31-36-6)17-23-10-14-37-18-23;1-17-14-21(27)30-25(28)24(17)26(35)29-10-6-18(2)31-11-7-20(8-12-31)32(15-19-9-13-37-16-19)22(33)4-5-23(34)36-3;1-16(2)25(33)31(14-19-8-12-34-15-19)20-6-10-30(11-7-20)18(4)5-9-28-24(32)22-17(3)13-21(26)29-23(22)27;1-4-21(31)30(14-18-8-12-33-15-18)19-6-10-29(11-7-19)17(3)5-9-27-24(32)22-16(2)13-20(25)28-23(22)26/h10,14-16,18-19,22,25H,7-9,11-13,17H2,1-6H3,(H,30,36)(H,33,38)(H2,31,32,37);7,10,14-16,18,21,24H,6,8-9,11-13,17H2,1-5H3,(H,29,36)(H,32,37);10,14,16,18-19,21,25H,7-9,11-13,15,17H2,1-6H3,(H,29,34)(H,31,35);9,13-14,16,18,20H,4-8,10-12,15H2,1-3H3,(H,29,35);8,12-13,15-16,18,20H,5-7,9-11,14H2,1-4H3,(H,28,32);8,12-13,15,17,19H,4-7,9-11,14H2,1-3H3,(H,27,32)/t22-;2*21-;2*18-;17-/m111111/s1.
What are the key properties of 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate?
2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate has a molecular weight of 3262.88 g/mol, XLogP of 28.64, 61 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[propanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propan-2-ylcarbamoylamino)benzamide;methyl 4-[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-4-oxobutanoate is sourced from PubChem (CID 159656421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).