6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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

C105H136Cl5N21O12S4 — CID 159255282

About 6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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 159255282) has the molecular formula C105H136Cl5N21O12S4 and a molecular weight of 2189.91 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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: 159255282
• Molecular Formula: C105H136Cl5N21O12S4
• Molecular Weight: 2189.91 g/mol
• Exact Mass: 2185.80
• IUPAC Name: 6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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: CCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.COCCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(C#N)[n+]([O-])c(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccon2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccncc2)CC1
• InChI: InChI=1S/C28H33Cl2N5O2S.C27H33N7O4S.C25H34Cl2N4O3S.C25H36ClN5O3S/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;1-18-14-23(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;1-17-14-21(26)29-24(27)23(17)25(33)28-9-4-18(2)30-10-5-20(6-11-30)31(22(32)7-12-34-3)15-19-8-13-35-16-19;1-5-34-29-25(33)31(15-20-9-13-35-16-20)21-7-11-30(12-8-21)18(3)6-10-27-24(32)23-17(2)14-22(26)28-19(23)4/h4-5,8-10,14-15,18,20,23H,3,6-7,11-13,16-17H2,1-2H3,(H,32,37);7-8,12-14,17,19,22H,4-6,9-11,16H2,1-3H3,(H,29,35)(H,30,31,36);8,13-14,16,18,20H,4-7,9-12,15H2,1-3H3,(H,28,33);9,13-14,16,18,21H,5-8,10-12,15H2,1-4H3,(H,27,32)(H,29,33)/t20-;19-;2*18-/m1111/s1
• InChIKey: KVUVSQWENWIOET-XURZQCSVSA-N
• XLogP: 18.31
• TPSA: 381.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 40
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2189.91
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

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'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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 159255282) is 6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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 CCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.COCCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(C#N)[n+]([O-])c(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccon2)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-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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 KVUVSQWENWIOET-XURZQCSVSA-N. The full InChI is InChI=1S/C28H33Cl2N5O2S.C27H33N7O4S.C25H34Cl2N4O3S.C25H36ClN5O3S/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;1-18-14-23(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;1-17-14-21(26)29-24(27)23(17)25(33)28-9-4-18(2)30-10-5-20(6-11-30)31(22(32)7-12-34-3)15-19-8-13-35-16-19;1-5-34-29-25(33)31(15-20-9-13-35-16-20)21-7-11-30(12-8-21)18(3)6-10-27-24(32)23-17(2)14-22(26)28-19(23)4/h4-5,8-10,14-15,18,20,23H,3,6-7,11-13,16-17H2,1-2H3,(H,32,37);7-8,12-14,17,19,22H,4-6,9-11,16H2,1-3H3,(H,29,35)(H,30,31,36);8,13-14,16,18,20H,4-7,9-12,15H2,1-3H3,(H,28,33);9,13-14,16,18,21H,5-8,10-12,15H2,1-4H3,(H,27,32)(H,29,33)/t20-;19-;2*18-/m1111/s1.

What are the key properties of 6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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 2189.91 g/mol, XLogP of 18.31, 40 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(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-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-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 159255282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).