N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

C135H173Cl9F3N29O13S5 — CID 161196532

About N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 161196532) has the molecular formula C135H173Cl9F3N29O13S5 and a molecular weight of 2946.46 g/mol. Its IUPAC name is N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
• PubChem CID: 161196532
• Molecular Formula: C135H173Cl9F3N29O13S5
• Molecular Weight: 2946.46 g/mol
• Exact Mass: 2939.95
• IUPAC Name: N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
• SMILES: Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)N(C)C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCCC2=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CNC(=O)c2ccccc2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cn2ncnn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCN(C(=O)C(F)(F)F)CC2)CC1
• InChI: InChI=1S/C30H35Cl2N5O3S.C29H37Cl2F3N6O3S.C27H35Cl2N5O3S.C25H36ClN5O2S.C24H30Cl2N8O2S/c1-20-16-25(31)35-28(32)27(20)30(40)33-12-8-21(2)36-13-9-24(10-14-36)37(18-22-11-15-41-19-22)26(38)17-34-29(39)23-6-4-3-5-7-23;1-18-15-23(30)37-25(31)24(18)26(41)35-9-3-19(2)38-12-6-22(7-13-38)40(16-20-8-14-44-17-20)28(43)36-21-4-10-39(11-5-21)27(42)29(32,33)34;1-18-14-22(28)31-26(29)25(18)27(37)30-9-5-19(2)32-11-6-21(7-12-32)34(15-20-8-13-38-17-20)24(36)16-33-10-3-4-23(33)35;1-17-14-22(26)28-19(3)23(17)24(32)27-10-6-18(2)30-11-7-21(8-12-30)31(25(33)29(4)5)15-20-9-13-34-16-20;1-16-11-20(25)30-23(26)22(16)24(36)27-7-3-17(2)32-8-4-19(5-9-32)33(12-18-6-10-37-14-18)21(35)13-34-29-15-28-31-34/h3-7,11,15-16,19,21,24H,8-10,12-14,17-18H2,1-2H3,(H,33,40)(H,34,39);8,14-15,17,19,21-22H,3-7,9-13,16H2,1-2H3,(H,35,41)(H,36,43);8,13-14,17,19,21H,3-7,9-12,15-16H2,1-2H3,(H,30,37);9,13-14,16,18,21H,6-8,10-12,15H2,1-5H3,(H,27,32);6,10-11,14-15,17,19H,3-5,7-9,12-13H2,1-2H3,(H,27,36)/t21-;2*19-;18-;17-/m11111/s1
• InChIKey: UUKMWRYNISDZDK-MGYVGNQHSA-N
• XLogP: 23.09
• TPSA: 456.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 48
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2946.46
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The IUPAC name of N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 161196532) is N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)N(C)C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCCC2=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CNC(=O)c2ccccc2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cn2ncnn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCN(C(=O)C(F)(F)F)CC2)CC1.

What is the InChIKey of N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The InChIKey is UUKMWRYNISDZDK-MGYVGNQHSA-N. The full InChI is InChI=1S/C30H35Cl2N5O3S.C29H37Cl2F3N6O3S.C27H35Cl2N5O3S.C25H36ClN5O2S.C24H30Cl2N8O2S/c1-20-16-25(31)35-28(32)27(20)30(40)33-12-8-21(2)36-13-9-24(10-14-36)37(18-22-11-15-41-19-22)26(38)17-34-29(39)23-6-4-3-5-7-23;1-18-15-23(30)37-25(31)24(18)26(41)35-9-3-19(2)38-12-6-22(7-13-38)40(16-20-8-14-44-17-20)28(43)36-21-4-10-39(11-5-21)27(42)29(32,33)34;1-18-14-22(28)31-26(29)25(18)27(37)30-9-5-19(2)32-11-6-21(7-12-32)34(15-20-8-13-38-17-20)24(36)16-33-10-3-4-23(33)35;1-17-14-22(26)28-19(3)23(17)24(32)27-10-6-18(2)30-11-7-21(8-12-30)31(25(33)29(4)5)15-20-9-13-34-16-20;1-16-11-20(25)30-23(26)22(16)24(36)27-7-3-17(2)32-8-4-19(5-9-32)33(12-18-6-10-37-14-18)21(35)13-34-29-15-28-31-34/h3-7,11,15-16,19,21,24H,8-10,12-14,17-18H2,1-2H3,(H,33,40)(H,34,39);8,14-15,17,19,21-22H,3-7,9-13,16H2,1-2H3,(H,35,41)(H,36,43);8,13-14,17,19,21H,3-7,9-12,15-16H2,1-2H3,(H,30,37);9,13-14,16,18,21H,6-8,10-12,15H2,1-5H3,(H,27,32);6,10-11,14-15,17,19H,3-5,7-9,12-13H2,1-2H3,(H,27,36)/t21-;2*19-;18-;17-/m11111/s1.

What are the key properties of N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?

N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 2946.46 g/mol, XLogP of 23.09, 48 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(tetrazol-2-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 161196532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).