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

C124H164Cl4FN23O14S5 — CID 161417364

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;2,6-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
SMILESCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(F)nc2C)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.[C-]#[N+]CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1
InChIInChI=1S/C27H36N4O3S.C25H34N6O4S.C24H29Cl2N5O2S.C24H32Cl2N4O3S.C24H33FN4O2S/c1-19-13-23(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;1-16-12-20(25)29-23(26)22(16)24(33)28-8-4-17(2)30-9-5-19(6-10-30)31(21(32)13-27-3)14-18-7-11-34-15-18;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;1-16-13-22(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/h8,12-14,18,21,24H,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);7,11-12,15,17,19H,4-6,8-10,13-14H2,1-2H3,(H,28,33);7,11-13,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,31)(H,28,32);8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,26,31)/t21-;18-;3*17-/m11111/s1
InChIKeyVWGLPSQZDPYNPV-VKKSYLJJSA-N
MW2521.97 g/mol
LogP20.21
Rot. Bonds45

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;2,6-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

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 (PubChem CID 161417364) has the molecular formula C124H164Cl4FN23O14S5 and a molecular weight of 2521.97 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;2,6-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.

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;2,6-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
PubChem CID161417364
Molecular FormulaC124H164Cl4FN23O14S5
Molecular Weight2521.97 g/mol
Exact Mass2518.02
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;2,6-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
SMILESCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(F)nc2C)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.[C-]#[N+]CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1
InChIInChI=1S/C27H36N4O3S.C25H34N6O4S.C24H29Cl2N5O2S.C24H32Cl2N4O3S.C24H33FN4O2S/c1-19-13-23(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;1-16-12-20(25)29-23(26)22(16)24(33)28-8-4-17(2)30-9-5-19(6-10-30)31(21(32)13-27-3)14-18-7-11-34-15-18;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;1-16-13-22(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/h8,12-14,18,21,24H,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);7,11-12,15,17,19H,4-6,8-10,13-14H2,1-2H3,(H,28,33);7,11-13,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,31)(H,28,32);8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,26,31)/t21-;18-;3*17-/m11111/s1
InChIKeyVWGLPSQZDPYNPV-VKKSYLJJSA-N
XLogP20.21
TPSA419.66 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds45
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002521.97
LogP ≤ 520.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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;2,6-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 with MolForge

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Related Compounds

CID 157445077
CID 157445077
2-N-butan-2-yl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(methylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-N-(cyanomethyl)-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-hydroxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
CID 157861767
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
N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;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;2,6-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
CID 158573647
CID 158848524
CID 158848524
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
2-chloro-6-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[[2-(oxan-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-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
CID 161340051

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;2,6-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?
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;2,6-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) 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;2,6-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.
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;2,6-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?
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;2,6-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 is CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(F)nc2C)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.[C-]#[N+]CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)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;2,6-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?
The InChIKey is VWGLPSQZDPYNPV-VKKSYLJJSA-N. The full InChI is InChI=1S/C27H36N4O3S.C25H34N6O4S.C24H29Cl2N5O2S.C24H32Cl2N4O3S.C24H33FN4O2S/c1-19-13-23(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;1-16-12-20(25)29-23(26)22(16)24(33)28-8-4-17(2)30-9-5-19(6-10-30)31(21(32)13-27-3)14-18-7-11-34-15-18;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;1-16-13-22(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/h8,12-14,18,21,24H,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);7,11-12,15,17,19H,4-6,8-10,13-14H2,1-2H3,(H,28,33);7,11-13,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,31)(H,28,32);8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,26,31)/t21-;18-;3*17-/m11111/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;2,6-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?
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 has a molecular weight of 2521.97 g/mol, XLogP of 20.21, 45 rotatable bonds, 7 hydrogen bond donors, and 28 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;2,6-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 is sourced from PubChem (CID 161417364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).