6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide

C109H151Cl2F2N21O12S5 — CID 159022776

About 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide

6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide (PubChem CID 159022776) has the molecular formula C109H151Cl2F2N21O12S5 and a molecular weight of 2216.78 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
• PubChem CID: 159022776
• Molecular Formula: C109H151Cl2F2N21O12S5
• Molecular Weight: 2216.78 g/mol
• Exact Mass: 2213.98
• IUPAC Name: 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
• SMILES: CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)cc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NN(C)C)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(F)F)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CSc2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C29H36ClN5O2S2.C29H43N5O4S.C27H41N7O4S.C24H31ClF2N4O2S/c1-20(8-12-31-29(37)28-21(2)32-19-33-22(28)3)34-13-9-25(10-14-34)35(16-23-11-15-38-17-23)27(36)18-39-26-6-4-24(30)5-7-26;1-19(2)31-27(35)24-15-20(3)26(21(4)16-24)28(36)30-11-7-22(5)33-12-8-25(9-13-33)34(29(37)32-38-6)17-23-10-14-39-18-23;1-18-15-23(25(35)30-32(4)5)29-20(3)24(18)26(36)28-11-7-19(2)33-12-8-22(9-13-33)34(27(37)31-38-6)16-21-10-14-39-17-21;1-15-12-20(25)29-17(3)21(15)23(32)28-8-4-16(2)30-9-5-19(6-10-30)31(24(33)22(26)27)13-18-7-11-34-14-18/h4-7,11,15,17,19-20,25H,8-10,12-14,16,18H2,1-3H3,(H,31,37);10,14-16,18-19,22,25H,7-9,11-13,17H2,1-6H3,(H,30,36)(H,31,35)(H,32,37);10,14-15,17,19,22H,7-9,11-13,16H2,1-6H3,(H,28,36)(H,30,35)(H,31,37);7,11-12,14,16,19,22H,4-6,8-10,13H2,1-3H3,(H,28,32)/t;22-;19-;16-/m.111/s1
• InChIKey: JTXDVVXIEQVBPC-UEWLRCBDSA-N
• XLogP: 17.24
• TPSA: 366.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2216.78
LogP ≤ 5	17.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide?

The IUPAC name of 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide (CID 159022776) is 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide.

What is the SMILES notation for 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide?

The canonical SMILES for 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide is CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)cc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NN(C)C)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(F)F)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CSc2ccc(Cl)cc2)CC1.

What is the InChIKey of 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide?

The InChIKey is JTXDVVXIEQVBPC-UEWLRCBDSA-N. The full InChI is InChI=1S/C29H36ClN5O2S2.C29H43N5O4S.C27H41N7O4S.C24H31ClF2N4O2S/c1-20(8-12-31-29(37)28-21(2)32-19-33-22(28)3)34-13-9-25(10-14-34)35(16-23-11-15-38-17-23)27(36)18-39-26-6-4-24(30)5-7-26;1-19(2)31-27(35)24-15-20(3)26(21(4)16-24)28(36)30-11-7-22(5)33-12-8-25(9-13-33)34(29(37)32-38-6)17-23-10-14-39-18-23;1-18-15-23(25(35)30-32(4)5)29-20(3)24(18)26(36)28-11-7-19(2)33-12-8-22(9-13-33)34(27(37)31-38-6)16-21-10-14-39-17-21;1-15-12-20(25)29-17(3)21(15)23(32)28-8-4-16(2)30-9-5-19(6-10-30)31(24(33)22(26)27)13-18-7-11-34-14-18/h4-7,11,15,17,19-20,25H,8-10,12-14,16,18H2,1-3H3,(H,31,37);10,14-16,18-19,22,25H,7-9,11-13,17H2,1-6H3,(H,30,36)(H,31,35)(H,32,37);10,14-15,17,19,22H,7-9,11-13,16H2,1-6H3,(H,28,36)(H,30,35)(H,31,37);7,11-12,14,16,19,22H,4-6,8-10,13H2,1-3H3,(H,28,32)/t;22-;19-;16-/m.111/s1.

What are the key properties of 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide?

6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide has a molecular weight of 2216.78 g/mol, XLogP of 17.24, 42 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 159022776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).