N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

C106H138Cl7N25O10S4 — CID 158062345

About N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 158062345) has the molecular formula C106H138Cl7N25O10S4 and a molecular weight of 2298.87 g/mol. Its IUPAC name is N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
• PubChem CID: 158062345
• Molecular Formula: C106H138Cl7N25O10S4
• Molecular Weight: 2298.87 g/mol
• Exact Mass: 2293.78
• IUPAC Name: N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
• SMILES: Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2nc3ccccc3[nH]2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCCN2CCNC2=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NOCC(C)C)CC1.[C-]#[N+]NC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1
• InChI: InChI=1S/C30H36ClN7O2S.C27H37Cl2N7O3S.C26H37Cl2N5O3S.C23H28Cl2N6O2S/c1-19-16-26(31)33-21(3)27(19)28(39)32-12-8-20(2)37-13-9-23(10-14-37)38(17-22-11-15-41-18-22)30(40)36-29-34-24-6-4-5-7-25(24)35-29;1-18-15-22(28)33-24(29)23(18)25(37)30-7-3-19(2)34-10-4-21(5-11-34)36(16-20-6-14-40-17-20)27(39)32-9-13-35-12-8-31-26(35)38;1-17(2)15-36-31-26(35)33(14-20-8-12-37-16-20)21-6-10-32(11-7-21)19(4)5-9-29-25(34)23-18(3)13-22(27)30-24(23)28;1-15-12-19(24)28-21(25)20(15)22(32)27-8-4-16(2)30-9-5-18(6-10-30)31(23(33)29-26-3)13-17-7-11-34-14-17/h4-7,11,15-16,18,20,23H,8-10,12-14,17H2,1-3H3,(H,32,39)(H2,34,35,36,40);6,14-15,17,19,21H,3-5,7-13,16H2,1-2H3,(H,30,37)(H,31,38)(H,32,39);8,12-13,16-17,19,21H,5-7,9-11,14-15H2,1-4H3,(H,29,34)(H,31,35);7,11-12,14,16,18H,4-6,8-10,13H2,1-2H3,(H,27,32)(H,29,33)/t20-;2*19-;16-/m1111/s1
• InChIKey: FKUMLRRCCGUEND-PAGZXZIUSA-N
• XLogP: 20.27
• TPSA: 384.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 39
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2298.87
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The IUPAC name of N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 158062345) is N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2nc3ccccc3[nH]2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCCN2CCNC2=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NOCC(C)C)CC1.[C-]#[N+]NC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.

What is the InChIKey of N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The InChIKey is FKUMLRRCCGUEND-PAGZXZIUSA-N. The full InChI is InChI=1S/C30H36ClN7O2S.C27H37Cl2N7O3S.C26H37Cl2N5O3S.C23H28Cl2N6O2S/c1-19-16-26(31)33-21(3)27(19)28(39)32-12-8-20(2)37-13-9-23(10-14-37)38(17-22-11-15-41-18-22)30(40)36-29-34-24-6-4-5-7-25(24)35-29;1-18-15-22(28)33-24(29)23(18)25(37)30-7-3-19(2)34-10-4-21(5-11-34)36(16-20-6-14-40-17-20)27(39)32-9-13-35-12-8-31-26(35)38;1-17(2)15-36-31-26(35)33(14-20-8-12-37-16-20)21-6-10-32(11-7-21)19(4)5-9-29-25(34)23-18(3)13-22(27)30-24(23)28;1-15-12-19(24)28-21(25)20(15)22(32)27-8-4-16(2)30-9-5-18(6-10-30)31(23(33)29-26-3)13-17-7-11-34-14-17/h4-7,11,15-16,18,20,23H,8-10,12-14,17H2,1-3H3,(H,32,39)(H2,34,35,36,40);6,14-15,17,19,21H,3-5,7-13,16H2,1-2H3,(H,30,37)(H,31,38)(H,32,39);8,12-13,16-17,19,21H,5-7,9-11,14-15H2,1-4H3,(H,29,34)(H,31,35);7,11-12,14,16,18H,4-6,8-10,13H2,1-2H3,(H,27,32)(H,29,33)/t20-;2*19-;16-/m1111/s1.

What are the key properties of N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 2298.87 g/mol, XLogP of 20.27, 39 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[isocyanocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 158062345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).