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

C125H167Cl6N25O12S6 — CID 158828537

IUPACN-[(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
SMILESCNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2C)CC1.CNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)cc2Cl)CC1.COCCOCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(N)=O)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CSc2cccnc2)CC1
InChIInChI=1S/C28H36N6O2S2.C26H36Cl2N4O4S.C25H34N6O2S.C24H32Cl2N4O2S.C22H29Cl2N5O2S/c1-20(6-11-30-28(36)27-21(2)31-19-32-22(27)3)33-12-7-24(8-13-33)34(16-23-9-14-37-17-23)26(35)18-38-25-5-4-10-29-15-25;1-18-14-22(27)30-25(28)24(18)26(34)29-8-4-19(2)31-9-5-21(6-10-31)32(15-20-7-13-37-17-20)23(33)16-36-12-11-35-3;1-17-13-21(14-26)29-19(3)23(17)24(32)28-9-5-18(2)30-10-6-22(7-11-30)31(25(33)27-4)15-20-8-12-34-16-20;1-16-12-19(25)13-21(26)22(16)23(31)28-8-4-17(2)29-9-5-20(6-10-29)30(24(32)27-3)14-18-7-11-33-15-18;1-14-11-18(23)27-20(24)19(14)21(30)26-7-3-15(2)28-8-4-17(5-9-28)29(22(25)31)12-16-6-10-32-13-16/h4-5,9-10,14-15,17,19-20,24H,6-8,11-13,16,18H2,1-3H3,(H,30,36);7,13-14,17,19,21H,4-6,8-12,15-16H2,1-3H3,(H,29,34);8,12-13,16,18,22H,5-7,9-11,15H2,1-4H3,(H,27,33)(H,28,32);7,11-13,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,32)(H,28,31);6,10-11,13,15,17H,3-5,7-9,12H2,1-2H3,(H2,25,31)(H,26,30)/t;19-;18-;17-;15-/m.1111/s1
InChIKeyIWTINUHWLXSDNT-FDNMFASXSA-N
MW2616.99 g/mol
LogP21.70
Rot. Bonds48

About 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

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 (PubChem CID 158828537) has the molecular formula C125H167Cl6N25O12S6 and a molecular weight of 2616.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID158828537
Molecular FormulaC125H167Cl6N25O12S6
Molecular Weight2616.99 g/mol
Exact Mass2611.97
IUPAC NameN-[(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
SMILESCNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2C)CC1.CNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)cc2Cl)CC1.COCCOCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(N)=O)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CSc2cccnc2)CC1
InChIInChI=1S/C28H36N6O2S2.C26H36Cl2N4O4S.C25H34N6O2S.C24H32Cl2N4O2S.C22H29Cl2N5O2S/c1-20(6-11-30-28(36)27-21(2)31-19-32-22(27)3)33-12-7-24(8-13-33)34(16-23-9-14-37-17-23)26(35)18-38-25-5-4-10-29-15-25;1-18-14-22(27)30-25(28)24(18)26(34)29-8-4-19(2)31-9-5-21(6-10-31)32(15-20-7-13-37-17-20)23(33)16-36-12-11-35-3;1-17-13-21(14-26)29-19(3)23(17)24(32)28-9-5-18(2)30-10-6-22(7-11-30)31(25(33)27-4)15-20-8-12-34-16-20;1-16-12-19(25)13-21(26)22(16)23(31)28-8-4-17(2)29-9-5-20(6-10-29)30(24(32)27-3)14-18-7-11-33-15-18;1-14-11-18(23)27-20(24)19(14)21(30)26-7-3-15(2)28-8-4-17(5-9-28)29(22(25)31)12-16-6-10-32-13-16/h4-5,9-10,14-15,17,19-20,24H,6-8,11-13,16,18H2,1-3H3,(H,30,36);7,13-14,17,19,21H,4-6,8-12,15-16H2,1-3H3,(H,29,34);8,12-13,16,18,22H,5-7,9-11,15H2,1-4H3,(H,27,33)(H,28,32);7,11-13,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,32)(H,28,31);6,10-11,13,15,17H,3-5,7-9,12H2,1-2H3,(H2,25,31)(H,26,30)/t;19-;18-;17-;15-/m.1111/s1
InChIKeyIWTINUHWLXSDNT-FDNMFASXSA-N
XLogP21.70
TPSA432.92 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds48
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002616.99
LogP ≤ 521.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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 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
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
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-N-tert-butyl-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-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-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
CID 159937303
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
CID 160406815
CID 160406815
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2C)CC1.CNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)cc2Cl)CC1.COCCOCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(N)=O)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CSc2cccnc2)CC1.
What is the InChIKey of 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?
The InChIKey is IWTINUHWLXSDNT-FDNMFASXSA-N. The full InChI is InChI=1S/C28H36N6O2S2.C26H36Cl2N4O4S.C25H34N6O2S.C24H32Cl2N4O2S.C22H29Cl2N5O2S/c1-20(6-11-30-28(36)27-21(2)31-19-32-22(27)3)33-12-7-24(8-13-33)34(16-23-9-14-37-17-23)26(35)18-38-25-5-4-10-29-15-25;1-18-14-22(27)30-25(28)24(18)26(34)29-8-4-19(2)31-9-5-21(6-10-31)32(15-20-7-13-37-17-20)23(33)16-36-12-11-35-3;1-17-13-21(14-26)29-19(3)23(17)24(32)28-9-5-18(2)30-10-6-22(7-11-30)31(25(33)27-4)15-20-8-12-34-16-20;1-16-12-19(25)13-21(26)22(16)23(31)28-8-4-17(2)29-9-5-20(6-10-29)30(24(32)27-3)14-18-7-11-33-15-18;1-14-11-18(23)27-20(24)19(14)21(30)26-7-3-15(2)28-8-4-17(5-9-28)29(22(25)31)12-16-6-10-32-13-16/h4-5,9-10,14-15,17,19-20,24H,6-8,11-13,16,18H2,1-3H3,(H,30,36);7,13-14,17,19,21H,4-6,8-12,15-16H2,1-3H3,(H,29,34);8,12-13,16,18,22H,5-7,9-11,15H2,1-4H3,(H,27,33)(H,28,32);7,11-13,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,32)(H,28,31);6,10-11,13,15,17H,3-5,7-9,12H2,1-2H3,(H2,25,31)(H,26,30)/t;19-;18-;17-;15-/m.1111/s1.
What are the key properties of 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?
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 has a molecular weight of 2616.99 g/mol, XLogP of 21.70, 48 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158828537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).