6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

C137H172Cl6N28O13S5 — CID 161220216

About 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 161220216) has the molecular formula C137H172Cl6N28O13S5 and a molecular weight of 2792.12 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
• PubChem CID: 161220216
• Molecular Formula: C137H172Cl6N28O13S5
• Molecular Weight: 2792.12 g/mol
• Exact Mass: 2787.04
• IUPAC Name: 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
• SMILES: COCCNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(C#N)[n+]([O-])c(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccon2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccccn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2cccnc2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccncc2)CC1
• InChI: InChI=1S/2C28H33Cl2N5O2S.C28H35ClN6O2S.C27H33N7O4S.C26H38ClN5O3S/c1-19-15-24(29)33-27(30)26(19)28(37)32-11-3-20(2)34-12-6-23(7-13-34)35(17-22-8-14-38-18-22)25(36)16-21-4-9-31-10-5-21;1-19-14-24(29)33-27(30)26(19)28(37)32-10-5-20(2)34-11-6-23(7-12-34)35(17-22-8-13-38-18-22)25(36)15-21-4-3-9-31-16-21;1-19-16-24(29)32-21(3)26(19)27(36)31-12-7-20(2)34-13-8-23(9-14-34)35(17-22-10-15-38-18-22)28(37)33-25-6-4-5-11-30-25;1-18-14-23(15-28)34(37)20(3)25(18)26(35)29-9-4-19(2)32-10-5-22(6-11-32)33(16-21-8-13-39-17-21)27(36)30-24-7-12-38-31-24;1-18-15-23(27)30-20(3)24(18)25(33)28-9-5-19(2)31-11-6-22(7-12-31)32(16-21-8-14-36-17-21)26(34)29-10-13-35-4/h4-5,8-10,14-15,18,20,23H,3,6-7,11-13,16-17H2,1-2H3,(H,32,37);3-4,8-9,13-14,16,18,20,23H,5-7,10-12,15,17H2,1-2H3,(H,32,37);4-6,10-11,15-16,18,20,23H,7-9,12-14,17H2,1-3H3,(H,31,36)(H,30,33,37);7-8,12-14,17,19,22H,4-6,9-11,16H2,1-3H3,(H,29,35)(H,30,31,36);8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,29,34)/t3*20-;2*19-/m11111/s1
• InChIKey: UXKBYKRUPQRMCF-XSDNFWIASA-N
• XLogP: 24.12
• TPSA: 475.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 49
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2792.12
LogP ≤ 5	24.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 161220216) is 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is COCCNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(C#N)[n+]([O-])c(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccon2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccccn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2cccnc2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccncc2)CC1.

What is the InChIKey of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The InChIKey is UXKBYKRUPQRMCF-XSDNFWIASA-N. The full InChI is InChI=1S/2C28H33Cl2N5O2S.C28H35ClN6O2S.C27H33N7O4S.C26H38ClN5O3S/c1-19-15-24(29)33-27(30)26(19)28(37)32-11-3-20(2)34-12-6-23(7-13-34)35(17-22-8-14-38-18-22)25(36)16-21-4-9-31-10-5-21;1-19-14-24(29)33-27(30)26(19)28(37)32-10-5-20(2)34-11-6-23(7-12-34)35(17-22-8-13-38-18-22)25(36)15-21-4-3-9-31-16-21;1-19-16-24(29)32-21(3)26(19)27(36)31-12-7-20(2)34-13-8-23(9-14-34)35(17-22-10-15-38-18-22)28(37)33-25-6-4-5-11-30-25;1-18-14-23(15-28)34(37)20(3)25(18)26(35)29-9-4-19(2)32-10-5-22(6-11-32)33(16-21-8-13-39-17-21)27(36)30-24-7-12-38-31-24;1-18-15-23(27)30-20(3)24(18)25(33)28-9-5-19(2)31-11-6-22(7-12-31)32(16-21-8-14-36-17-21)26(34)29-10-13-35-4/h4-5,8-10,14-15,18,20,23H,3,6-7,11-13,16-17H2,1-2H3,(H,32,37);3-4,8-9,13-14,16,18,20,23H,5-7,10-12,15,17H2,1-2H3,(H,32,37);4-6,10-11,15-16,18,20,23H,7-9,12-14,17H2,1-3H3,(H,31,36)(H,30,33,37);7-8,12-14,17,19,22H,4-6,9-11,16H2,1-3H3,(H,29,35)(H,30,31,36);8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,29,34)/t3*20-;2*19-/m11111/s1.

What are the key properties of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 2792.12 g/mol, XLogP of 24.12, 49 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 161220216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).