6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide

C132H186Cl2FN25O14S5 — CID 158782067

About 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide

6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 158782067) has the molecular formula C132H186Cl2FN25O14S5 and a molecular weight of 2597.34 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide
• PubChem CID: 158782067
• Molecular Formula: C132H186Cl2FN25O14S5
• Molecular Weight: 2597.34 g/mol
• Exact Mass: 2594.26
• IUPAC Name: 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide
• SMILES: CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(-c3cccnc3)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(CC(C)C)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(C=O)Cc2ccsc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CF)CC1
• InChI: InChI=1S/C29H38N6O3S.C28H42N6O4S.C28H43N5O3S.C24H32ClFN4O2S.C23H31ClN4O2S/c1-20-16-26(24-6-5-11-30-17-24)32-22(3)27(20)28(36)31-12-7-21(2)34-13-8-25(9-14-34)35(29(37)33-38-4)18-23-10-15-39-19-23;1-18(2)30-26(35)24-15-19(3)25(21(5)31-24)27(36)29-11-7-20(4)33-12-8-23(9-13-33)34(28(37)32-38-6)16-22-10-14-39-17-22;1-19(2)15-24-16-20(3)26(22(5)30-24)27(34)29-11-7-21(4)32-12-8-25(9-13-32)33(28(35)31-36-6)17-23-10-14-37-18-23;1-16-12-21(25)28-18(3)23(16)24(32)27-8-4-17(2)29-9-5-20(6-10-29)30(22(31)13-26)14-19-7-11-33-15-19;1-16-12-21(24)26-18(3)22(16)23(30)25-8-4-17(2)27-9-5-20(6-10-27)28(15-29)13-19-7-11-31-14-19/h5-6,10-11,15-17,19,21,25H,7-9,12-14,18H2,1-4H3,(H,31,36)(H,33,37);10,14-15,17-18,20,23H,7-9,11-13,16H2,1-6H3,(H,29,36)(H,30,35)(H,32,37);10,14,16,18-19,21,25H,7-9,11-13,15,17H2,1-6H3,(H,29,34)(H,31,35);7,11-12,15,17,20H,4-6,8-10,13-14H2,1-3H3,(H,27,32);7,11-12,14-15,17,20H,4-6,8-10,13H2,1-3H3,(H,25,30)/t21-;20-;21-;2*17-/m11111/s1
• InChIKey: IREYGGVGYUGPDY-MMSZDVEUSA-N
• XLogP: 21.35
• TPSA: 433.47 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 50
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2597.34
LogP ≤ 5	21.35
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide (CID 158782067) is 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide is CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(-c3cccnc3)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(CC(C)C)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(C=O)Cc2ccsc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CF)CC1.

What is the InChIKey of 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide?

The InChIKey is IREYGGVGYUGPDY-MMSZDVEUSA-N. The full InChI is InChI=1S/C29H38N6O3S.C28H42N6O4S.C28H43N5O3S.C24H32ClFN4O2S.C23H31ClN4O2S/c1-20-16-26(24-6-5-11-30-17-24)32-22(3)27(20)28(36)31-12-7-21(2)34-13-8-25(9-14-34)35(29(37)33-38-4)18-23-10-15-39-19-23;1-18(2)30-26(35)24-15-19(3)25(21(5)31-24)27(36)29-11-7-20(4)33-12-8-23(9-13-33)34(28(37)32-38-6)16-22-10-14-39-17-22;1-19(2)15-24-16-20(3)26(22(5)30-24)27(34)29-11-7-21(4)32-12-8-25(9-13-32)33(28(35)31-36-6)17-23-10-14-37-18-23;1-16-12-21(25)28-18(3)23(16)24(32)27-8-4-17(2)29-9-5-20(6-10-29)30(22(31)13-26)14-19-7-11-33-15-19;1-16-12-21(24)26-18(3)22(16)23(30)25-8-4-17(2)27-9-5-20(6-10-27)28(15-29)13-19-7-11-31-14-19/h5-6,10-11,15-17,19,21,25H,7-9,12-14,18H2,1-4H3,(H,31,36)(H,33,37);10,14-15,17-18,20,23H,7-9,11-13,16H2,1-6H3,(H,29,36)(H,30,35)(H,32,37);10,14,16,18-19,21,25H,7-9,11-13,15,17H2,1-6H3,(H,29,34)(H,31,35);7,11-12,15,17,20H,4-6,8-10,13-14H2,1-3H3,(H,27,32);7,11-12,14-15,17,20H,4-6,8-10,13H2,1-3H3,(H,25,30)/t21-;20-;21-;2*17-/m11111/s1.

What are the key properties of 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide?

6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 2597.34 g/mol, XLogP of 21.35, 50 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 158782067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).