N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide

C151H206Cl2F2N28O18S6 — CID 159202918

IUPACN-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(F)nc2C)CC1.COCC(=O)N(Cc1ccsc1)C1CCN(C(C)CCNC(=O)c2c(C)cc3nccn3c2C)CC1.COCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)cc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)[n+]([O-])c2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)cc2Cl)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(F)nc2C)CC1
InChIInChI=1S/C27H37N5O3S.C27H36N4O3S.C25H34N6O4S.C24H32Cl2N4O3S.C24H34FN5O3S.C24H33FN4O2S/c1-19-15-24-28-10-13-31(24)21(3)26(19)27(34)29-9-5-20(2)30-11-6-23(7-12-30)32(25(33)17-35-4)16-22-8-14-36-18-22;1-19-13-23(15-28)14-20(2)26(19)27(33)29-9-5-21(3)30-10-6-24(7-11-30)31(25(32)17-34-4)16-22-8-12-35-18-22;1-17-13-22(14-26)31(34)19(3)23(17)24(32)27-9-5-18(2)29-10-6-21(7-11-29)30(25(33)28-35-4)15-20-8-12-36-16-20;1-16-12-19(25)13-21(26)22(16)23(31)27-8-4-17(2)29-9-5-20(6-10-29)30(24(32)28-33-3)14-18-7-11-34-15-18;1-16-13-21(25)27-18(3)22(16)23(31)26-9-5-17(2)29-10-6-20(7-11-29)30(24(32)28-33-4)14-19-8-12-34-15-19;1-16-13-22(25)27-18(3)23(16)24(31)26-9-5-17(2)28-10-6-21(7-11-28)29(19(4)30)14-20-8-12-32-15-20/h8,10,13-15,18,20,23H,5-7,9,11-12,16-17H2,1-4H3,(H,29,34);8,12-14,18,21,24H,5-7,9-11,16-17H2,1-4H3,(H,29,33);8,12-13,16,18,21H,5-7,9-11,15H2,1-4H3,(H,27,32)(H,28,33);7,11-13,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,31)(H,28,32);8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,31)(H,28,32);8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,26,31)/t;21-;18-;3*17-/m.11111/s1
InChIKeyKPNBEODLKIUQQE-XHBNACOHSA-N
MW3002.79 g/mol
LogP22.84
Rot. Bonds55

About N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide

N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 159202918) has the molecular formula C151H206Cl2F2N28O18S6 and a molecular weight of 3002.79 g/mol. Its IUPAC name is N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID159202918
Molecular FormulaC151H206Cl2F2N28O18S6
Molecular Weight3002.79 g/mol
Exact Mass2999.37
IUPAC NameN-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(F)nc2C)CC1.COCC(=O)N(Cc1ccsc1)C1CCN(C(C)CCNC(=O)c2c(C)cc3nccn3c2C)CC1.COCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)cc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)[n+]([O-])c2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)cc2Cl)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(F)nc2C)CC1
InChIInChI=1S/C27H37N5O3S.C27H36N4O3S.C25H34N6O4S.C24H32Cl2N4O3S.C24H34FN5O3S.C24H33FN4O2S/c1-19-15-24-28-10-13-31(24)21(3)26(19)27(34)29-9-5-20(2)30-11-6-23(7-12-30)32(25(33)17-35-4)16-22-8-14-36-18-22;1-19-13-23(15-28)14-20(2)26(19)27(33)29-9-5-21(3)30-10-6-24(7-11-30)31(25(32)17-34-4)16-22-8-12-35-18-22;1-17-13-22(14-26)31(34)19(3)23(17)24(32)27-9-5-18(2)29-10-6-21(7-11-29)30(25(33)28-35-4)15-20-8-12-36-16-20;1-16-12-19(25)13-21(26)22(16)23(31)27-8-4-17(2)29-9-5-20(6-10-29)30(24(32)28-33-3)14-18-7-11-34-15-18;1-16-13-21(25)27-18(3)22(16)23(31)26-9-5-17(2)29-10-6-20(7-11-29)30(24(32)28-33-4)14-19-8-12-34-15-19;1-16-13-22(25)27-18(3)23(16)24(31)26-9-5-17(2)28-10-6-21(7-11-28)29(19(4)30)14-20-8-12-32-15-20/h8,10,13-15,18,20,23H,5-7,9,11-12,16-17H2,1-4H3,(H,29,34);8,12-14,18,21,24H,5-7,9-11,16-17H2,1-4H3,(H,29,33);8,12-13,16,18,21H,5-7,9-11,15H2,1-4H3,(H,27,32)(H,28,33);7,11-13,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,31)(H,28,32);8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,31)(H,28,32);8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,26,31)/t;21-;18-;3*17-/m.11111/s1
InChIKeyKPNBEODLKIUQQE-XHBNACOHSA-N
XLogP22.84
TPSA515.74 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds55
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003002.79
LogP ≤ 522.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-methoxyacetyl)-(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-methylpyridine-3-carboxamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide
CID 158314912
N-[(3R)-3-[4-[carbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(2-methoxyethoxy)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]benzamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-3-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide
CID 158828537
CID 158848524
CID 158848524
N-[(3R)-3-[4-[carbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dichloro-6-methylpyrimidine-5-carboxamide;2-cyano-4,6-dimethyl-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(2-methoxyethoxy)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]benzamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-3-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide
CID 160035492
6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(2-methoxyethoxy)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]benzamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-3-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide
CID 160998229
N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-isocyanoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide
CID 161417364

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide (CID 159202918) is N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide is CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(F)nc2C)CC1.COCC(=O)N(Cc1ccsc1)C1CCN(C(C)CCNC(=O)c2c(C)cc3nccn3c2C)CC1.COCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)cc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)[n+]([O-])c2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)cc2Cl)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(F)nc2C)CC1.
What is the InChIKey of N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is KPNBEODLKIUQQE-XHBNACOHSA-N. The full InChI is InChI=1S/C27H37N5O3S.C27H36N4O3S.C25H34N6O4S.C24H32Cl2N4O3S.C24H34FN5O3S.C24H33FN4O2S/c1-19-15-24-28-10-13-31(24)21(3)26(19)27(34)29-9-5-20(2)30-11-6-23(7-12-30)32(25(33)17-35-4)16-22-8-14-36-18-22;1-19-13-23(15-28)14-20(2)26(19)27(33)29-9-5-21(3)30-10-6-24(7-11-30)31(25(32)17-34-4)16-22-8-12-35-18-22;1-17-13-22(14-26)31(34)19(3)23(17)24(32)27-9-5-18(2)29-10-6-21(7-11-29)30(25(33)28-35-4)15-20-8-12-36-16-20;1-16-12-19(25)13-21(26)22(16)23(31)27-8-4-17(2)29-9-5-20(6-10-29)30(24(32)28-33-3)14-18-7-11-34-15-18;1-16-13-21(25)27-18(3)22(16)23(31)26-9-5-17(2)29-10-6-20(7-11-29)30(24(32)28-33-4)14-19-8-12-34-15-19;1-16-13-22(25)27-18(3)23(16)24(31)26-9-5-17(2)28-10-6-21(7-11-28)29(19(4)30)14-20-8-12-32-15-20/h8,10,13-15,18,20,23H,5-7,9,11-12,16-17H2,1-4H3,(H,29,34);8,12-14,18,21,24H,5-7,9-11,16-17H2,1-4H3,(H,29,33);8,12-13,16,18,21H,5-7,9-11,15H2,1-4H3,(H,27,32)(H,28,33);7,11-13,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,31)(H,28,32);8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,31)(H,28,32);8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,26,31)/t;21-;18-;3*17-/m.11111/s1.
What are the key properties of N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 3002.79 g/mol, XLogP of 22.84, 55 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;4-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide;6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;2,4-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-methylbenzamide;6-fluoro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-5,7-dimethylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 159202918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).