2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

C128H169Cl10N31O11S6 — CID 161080614

About 2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 161080614) has the molecular formula C128H169Cl10N31O11S6 and a molecular weight of 2864.90 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
• PubChem CID: 161080614
• Molecular Formula: C128H169Cl10N31O11S6
• Molecular Weight: 2864.90 g/mol
• Exact Mass: 2857.88
• IUPAC Name: 2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(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)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCCc2cnc[nH]2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NN(C)C)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)n[nH]1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)sn1
• InChI: InChI=1S/C27H35Cl2N7O2S.C26H33Cl2N7O2S.C26H32Cl2N6O2S2.C25H35Cl2N5O3S.C24H34Cl2N6O2S/c1-18-13-23(28)34-25(29)24(18)26(37)31-8-3-19(2)35-10-5-22(6-11-35)36(15-20-7-12-39-16-20)27(38)32-9-4-21-14-30-17-33-21;1-16-12-21(27)30-24(28)23(16)25(36)29-8-4-18(3)34-9-5-20(6-10-34)35(14-19-7-11-38-15-19)26(37)31-22-13-17(2)32-33-22;1-16-12-21(27)30-24(28)23(16)25(35)29-8-4-18(3)33-9-5-20(6-10-33)34(14-19-7-11-37-15-19)26(36)31-22-13-17(2)32-38-22;1-17-14-21(26)30-23(27)22(17)24(33)28-8-4-18(2)31-10-5-20(6-11-31)32(15-19-7-13-36-16-19)25(34)29-9-12-35-3;1-16-13-20(25)28-22(26)21(16)23(33)27-9-5-17(2)31-10-6-19(7-11-31)32(24(34)29-30(3)4)14-18-8-12-35-15-18/h7,12-14,16-17,19,22H,3-6,8-11,15H2,1-2H3,(H,30,33)(H,31,37)(H,32,38);7,11-13,15,18,20H,4-6,8-10,14H2,1-3H3,(H,29,36)(H2,31,32,33,37);7,11-13,15,18,20H,4-6,8-10,14H2,1-3H3,(H,29,35)(H,31,36);7,13-14,16,18,20H,4-6,8-12,15H2,1-3H3,(H,28,33)(H,29,34);8,12-13,15,17,19H,5-7,9-11,14H2,1-4H3,(H,27,33)(H,29,34)/t19-;3*18-;17-/m11111/s1
• InChIKey: UFWBOESGQMEUNO-BNUGDODVSA-N
• XLogP: 25.64
• TPSA: 470.57 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 49
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2864.90
LogP ≤ 5	25.64
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The IUPAC name of 2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 161080614) is 2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

What is the SMILES notation for 2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The canonical SMILES for 2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(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)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCCc2cnc[nH]2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NN(C)C)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)n[nH]1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)sn1.

What is the InChIKey of 2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The InChIKey is UFWBOESGQMEUNO-BNUGDODVSA-N. The full InChI is InChI=1S/C27H35Cl2N7O2S.C26H33Cl2N7O2S.C26H32Cl2N6O2S2.C25H35Cl2N5O3S.C24H34Cl2N6O2S/c1-18-13-23(28)34-25(29)24(18)26(37)31-8-3-19(2)35-10-5-22(6-11-35)36(15-20-7-12-39-16-20)27(38)32-9-4-21-14-30-17-33-21;1-16-12-21(27)30-24(28)23(16)25(36)29-8-4-18(3)34-9-5-20(6-10-34)35(14-19-7-11-38-15-19)26(37)31-22-13-17(2)32-33-22;1-16-12-21(27)30-24(28)23(16)25(35)29-8-4-18(3)33-9-5-20(6-10-33)34(14-19-7-11-37-15-19)26(36)31-22-13-17(2)32-38-22;1-17-14-21(26)30-23(27)22(17)24(33)28-8-4-18(2)31-10-5-20(6-11-31)32(15-19-7-13-36-16-19)25(34)29-9-12-35-3;1-16-13-20(25)28-22(26)21(16)23(33)27-9-5-17(2)31-10-6-19(7-11-31)32(24(34)29-30(3)4)14-18-8-12-35-15-18/h7,12-14,16-17,19,22H,3-6,8-11,15H2,1-2H3,(H,30,33)(H,31,37)(H,32,38);7,11-13,15,18,20H,4-6,8-10,14H2,1-3H3,(H,29,36)(H2,31,32,33,37);7,11-13,15,18,20H,4-6,8-10,14H2,1-3H3,(H,29,35)(H,31,36);7,13-14,16,18,20H,4-6,8-12,15H2,1-3H3,(H,28,33)(H,29,34);8,12-13,15,17,19H,5-7,9-11,14H2,1-4H3,(H,27,33)(H,29,34)/t19-;3*18-;17-/m11111/s1.

What are the key properties of 2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 2864.90 g/mol, XLogP of 25.64, 49 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-N-[(3R)-3-[4-[dimethylaminocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-thiazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 161080614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).