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-(dimethylamino)-2-oxoethyl]carbamoyl-(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

C101H138Cl8N24O10S4 — CID 161472918

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-(dimethylamino)-2-oxoethyl]carbamoyl-(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-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-(dimethylamino)-2-oxoethyl]carbamoyl-(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 (PubChem CID 161472918) has the molecular formula C101H138Cl8N24O10S4 and a molecular weight of 2260.26 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-(dimethylamino)-2-oxoethyl]carbamoyl-(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.

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-(dimethylamino)-2-oxoethyl]carbamoyl-(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
• PubChem CID: 161472918
• Molecular Formula: C101H138Cl8N24O10S4
• Molecular Weight: 2260.26 g/mol
• Exact Mass: 2254.74
• 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-(dimethylamino)-2-oxoethyl]carbamoyl-(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
• 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)NCC(=O)N(C)C)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
• InChI: InChI=1S/C26H33Cl2N7O2S.C26H36Cl2N6O3S.C25H35Cl2N5O3S.C24H34Cl2N6O2S/c1-16-12-21(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;1-17-13-21(27)31-24(28)23(17)25(36)29-9-5-18(2)33-10-6-20(7-11-33)34(15-19-8-12-38-16-19)26(37)30-14-22(35)32(3)4;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/h7,11-13,15,18,20H,4-6,8-10,14H2,1-3H3,(H,29,36)(H2,31,32,33,37);8,12-13,16,18,20H,5-7,9-11,14-15H2,1-4H3,(H,29,36)(H,30,37);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)/t3*18-;17-/m1111/s1
• InChIKey: WDIBWHDFKIXTDN-CLEVWEICSA-N
• XLogP: 18.54
• TPSA: 371.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2260.26
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

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-(dimethylamino)-2-oxoethyl]carbamoyl-(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?

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-(dimethylamino)-2-oxoethyl]carbamoyl-(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 (CID 161472918) 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-(dimethylamino)-2-oxoethyl]carbamoyl-(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.

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-(dimethylamino)-2-oxoethyl]carbamoyl-(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?

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-(dimethylamino)-2-oxoethyl]carbamoyl-(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 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)NCC(=O)N(C)C)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.

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-(dimethylamino)-2-oxoethyl]carbamoyl-(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?

The InChIKey is WDIBWHDFKIXTDN-CLEVWEICSA-N. The full InChI is InChI=1S/C26H33Cl2N7O2S.C26H36Cl2N6O3S.C25H35Cl2N5O3S.C24H34Cl2N6O2S/c1-16-12-21(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;1-17-13-21(27)31-24(28)23(17)25(36)29-9-5-18(2)33-10-6-20(7-11-33)34(15-19-8-12-38-16-19)26(37)30-14-22(35)32(3)4;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/h7,11-13,15,18,20H,4-6,8-10,14H2,1-3H3,(H,29,36)(H2,31,32,33,37);8,12-13,16,18,20H,5-7,9-11,14-15H2,1-4H3,(H,29,36)(H,30,37);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)/t3*18-;17-/m1111/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-(dimethylamino)-2-oxoethyl]carbamoyl-(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-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-(dimethylamino)-2-oxoethyl]carbamoyl-(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 has a molecular weight of 2260.26 g/mol, XLogP of 18.54, 39 rotatable bonds, 9 hydrogen bond donors, and 24 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-(dimethylamino)-2-oxoethyl]carbamoyl-(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 is sourced from PubChem (CID 161472918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).