6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

C132H196Cl6FN29O8S3 — CID 158500708

IUPAC6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
SMILESCCC(C)CN(C(=O)Nc1ccc(F)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.CCCCCCN(C(=O)NCC)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.CCNC(=O)N(CCSCC)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)/C(=N/C(C)C)NC#N)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)/C(=N/C2CC2)NC#N)CC1
InChIInChI=1S/C29H41ClFN5O2.C27H36ClN7OS.C27H38ClN7OS.C26H44ClN5O2.C23H37Cl2N5O2S/c1-6-19(2)18-36(29(38)34-24-9-7-23(31)8-10-24)25-12-15-35(16-13-25)21(4)11-14-32-28(37)27-20(3)17-26(30)33-22(27)5;1-18-14-24(28)32-20(3)25(18)26(36)30-10-6-19(2)34-11-7-23(8-12-34)35(15-21-9-13-37-16-21)27(31-17-29)33-22-4-5-22;1-18(2)32-27(31-17-29)35(15-22-9-13-37-16-22)23-7-11-34(12-8-23)20(4)6-10-30-26(36)25-19(3)14-24(28)33-21(25)5;1-6-8-9-10-15-32(26(34)28-7-2)22-12-16-31(17-13-22)20(4)11-14-29-25(33)24-19(3)18-23(27)30-21(24)5;1-5-26-23(32)30(13-14-33-6-2)18-8-11-29(12-9-18)17(4)7-10-27-22(31)20-16(3)15-19(24)28-21(20)25/h7-10,17,19,21,25H,6,11-16,18H2,1-5H3,(H,32,37)(H,34,38);9,13-14,16,19,22-23H,4-8,10-12,15H2,1-3H3,(H,30,36)(H,31,33);9,13-14,16,18,20,23H,6-8,10-12,15H2,1-5H3,(H,30,36)(H,31,32);18,20,22H,6-17H2,1-5H3,(H,28,34)(H,29,33);15,17-18H,5-14H2,1-4H3,(H,26,32)(H,27,31)/t19?,21-;19-;2*20-;17-/m11111/s1
InChIKeyHJVWZCIYKZFFMA-DCAPADLESA-N
MW2645.13 g/mol
LogP24.64
Rot. Bonds51

About 6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide (PubChem CID 158500708) has the molecular formula C132H196Cl6FN29O8S3 and a molecular weight of 2645.13 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
PubChem CID158500708
Molecular FormulaC132H196Cl6FN29O8S3
Molecular Weight2645.13 g/mol
Exact Mass2640.31
IUPAC Name6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
SMILESCCC(C)CN(C(=O)Nc1ccc(F)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.CCCCCCN(C(=O)NCC)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.CCNC(=O)N(CCSCC)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)/C(=N/C(C)C)NC#N)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)/C(=N/C2CC2)NC#N)CC1
InChIInChI=1S/C29H41ClFN5O2.C27H36ClN7OS.C27H38ClN7OS.C26H44ClN5O2.C23H37Cl2N5O2S/c1-6-19(2)18-36(29(38)34-24-9-7-23(31)8-10-24)25-12-15-35(16-13-25)21(4)11-14-32-28(37)27-20(3)17-26(30)33-22(27)5;1-18-14-24(28)32-20(3)25(18)26(36)30-10-6-19(2)34-11-7-23(8-12-34)35(15-21-9-13-37-16-21)27(31-17-29)33-22-4-5-22;1-18(2)32-27(31-17-29)35(15-22-9-13-37-16-22)23-7-11-34(12-8-23)20(4)6-10-30-26(36)25-19(3)14-24(28)33-21(25)5;1-6-8-9-10-15-32(26(34)28-7-2)22-12-16-31(17-13-22)20(4)11-14-29-25(33)24-19(3)18-23(27)30-21(24)5;1-5-26-23(32)30(13-14-33-6-2)18-8-11-29(12-9-18)17(4)7-10-27-22(31)20-16(3)15-19(24)28-21(20)25/h7-10,17,19,21,25H,6,11-16,18H2,1-5H3,(H,32,37)(H,34,38);9,13-14,16,19,22-23H,4-8,10-12,15H2,1-3H3,(H,30,36)(H,31,33);9,13-14,16,18,20,23H,6-8,10-12,15H2,1-5H3,(H,30,36)(H,31,32);18,20,22H,6-17H2,1-5H3,(H,28,34)(H,29,33);15,17-18H,5-14H2,1-4H3,(H,26,32)(H,27,31)/t19?,21-;19-;2*20-;17-/m11111/s1
InChIKeyHJVWZCIYKZFFMA-DCAPADLESA-N
XLogP24.64
TPSA426.01 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds51
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002645.13
LogP ≤ 524.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide with MolForge

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Related Compounds

6-chloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;6-chloro-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-isocyanoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(3,3,3-trifluoropropanoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 161344754
6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-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-propan-2-ylpyridine-2,5-dicarboxamide
CID 161646998
6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 59458144
6-chloro-N-[(E)-3-[4-[[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]methyl]piperidin-1-yl]but-2-enyl]-2,4-dimethylpyridine-3-carboxamide
CID 148177924
6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 157052151
6-chloro-N-[(3R)-3-[4-[[N-cyano-N'-(2-methoxyethyl)carbamimidoyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(3-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-propylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
CID 157278872
N-[(3R)-3-[4-[(N-acetyl-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[butyl(ethylcarbamoyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N'-ethyl-N-isocyanocarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 157648796
6-chloro-N-[(3R)-3-[4-[(N'-cyanocarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(3-methylsulfanylpropyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 158139624
6-chloro-N-[(3R)-3-[4-[(2-cyclopropylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxoimidazolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methyl-1-oxidopyridin-1-ium-3-carboxamide
CID 158484545
6-[4-(4-Acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridine-3-carboxamide;6-chloro-4-(thiophen-2-ylmethylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxamide
CID 158515609
2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]butanoate;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate
CID 158812767
6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-(3-cyclohexyl-2-oxo-5-thiophen-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[3-(2-methylpropyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-(3-methoxy-2,2-dimethylpropyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 158889402

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide (CID 158500708) is 6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide is CCC(C)CN(C(=O)Nc1ccc(F)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.CCCCCCN(C(=O)NCC)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.CCNC(=O)N(CCSCC)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)/C(=N/C(C)C)NC#N)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)/C(=N/C2CC2)NC#N)CC1.
What is the InChIKey of 6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?
The InChIKey is HJVWZCIYKZFFMA-DCAPADLESA-N. The full InChI is InChI=1S/C29H41ClFN5O2.C27H36ClN7OS.C27H38ClN7OS.C26H44ClN5O2.C23H37Cl2N5O2S/c1-6-19(2)18-36(29(38)34-24-9-7-23(31)8-10-24)25-12-15-35(16-13-25)21(4)11-14-32-28(37)27-20(3)17-26(30)33-22(27)5;1-18-14-24(28)32-20(3)25(18)26(36)30-10-6-19(2)34-11-7-23(8-12-34)35(15-21-9-13-37-16-21)27(31-17-29)33-22-4-5-22;1-18(2)32-27(31-17-29)35(15-22-9-13-37-16-22)23-7-11-34(12-8-23)20(4)6-10-30-26(36)25-19(3)14-24(28)33-21(25)5;1-6-8-9-10-15-32(26(34)28-7-2)22-12-16-31(17-13-22)20(4)11-14-29-25(33)24-19(3)18-23(27)30-21(24)5;1-5-26-23(32)30(13-14-33-6-2)18-8-11-29(12-9-18)17(4)7-10-27-22(31)20-16(3)15-19(24)28-21(20)25/h7-10,17,19,21,25H,6,11-16,18H2,1-5H3,(H,32,37)(H,34,38);9,13-14,16,19,22-23H,4-8,10-12,15H2,1-3H3,(H,30,36)(H,31,33);9,13-14,16,18,20,23H,6-8,10-12,15H2,1-5H3,(H,30,36)(H,31,32);18,20,22H,6-17H2,1-5H3,(H,28,34)(H,29,33);15,17-18H,5-14H2,1-4H3,(H,26,32)(H,27,31)/t19?,21-;19-;2*20-;17-/m11111/s1.
What are the key properties of 6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?
6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide has a molecular weight of 2645.13 g/mol, XLogP of 24.64, 51 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-cyclopropylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-propan-2-ylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethylcarbamoyl(hexyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-(2-methylbutyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[ethylcarbamoyl(2-ethylsulfanylethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 158500708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).