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

C106H147Cl3FN19O10S4 — CID 158514652

About 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;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;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 158514652) has the molecular formula C106H147Cl3FN19O10S4 and a molecular weight of 2101.09 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;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;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;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide
• PubChem CID: 158514652
• Molecular Formula: C106H147Cl3FN19O10S4
• Molecular Weight: 2101.09 g/mol
• Exact Mass: 2097.95
• IUPAC Name: 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;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(CC(C)C)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CF)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(C)C)CC1
• InChI: InChI=1S/C29H38N6O3S.C28H43N5O3S.C25H34Cl2N4O2S.C24H32ClFN4O2S/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;1-19(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(2)25(33)31(14-19-8-12-34-15-19)20-6-10-30(11-7-20)18(4)5-9-28-24(32)22-17(3)13-21(26)29-23(22)27;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/h5-6,10-11,15-17,19,21,25H,7-9,12-14,18H2,1-4H3,(H,31,36)(H,33,37);10,14,16,18-19,21,25H,7-9,11-13,15,17H2,1-6H3,(H,29,34)(H,31,35);8,12-13,15-16,18,20H,5-7,9-11,14H2,1-4H3,(H,28,32);7,11-12,15,17,20H,4-6,8-10,13-14H2,1-3H3,(H,27,32)/t2*21-;18-;17-/m1111/s1
• InChIKey: HLMDJVXXVIGMIF-HIOAZHBISA-N
• XLogP: 19.07
• TPSA: 317.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 39
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2101.09
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

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-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;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;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide (CID 158514652) is 6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;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;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;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;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;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(CC(C)C)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CF)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(C)C)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;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;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 HLMDJVXXVIGMIF-HIOAZHBISA-N. The full InChI is InChI=1S/C29H38N6O3S.C28H43N5O3S.C25H34Cl2N4O2S.C24H32ClFN4O2S/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;1-19(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(2)25(33)31(14-19-8-12-34-15-19)20-6-10-30(11-7-20)18(4)5-9-28-24(32)22-17(3)13-21(26)29-23(22)27;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/h5-6,10-11,15-17,19,21,25H,7-9,12-14,18H2,1-4H3,(H,31,36)(H,33,37);10,14,16,18-19,21,25H,7-9,11-13,15,17H2,1-6H3,(H,29,34)(H,31,35);8,12-13,15-16,18,20H,5-7,9-11,14H2,1-4H3,(H,28,32);7,11-12,15,17,20H,4-6,8-10,13-14H2,1-3H3,(H,27,32)/t2*21-;18-;17-/m1111/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;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;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;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;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 2101.09 g/mol, XLogP of 19.07, 39 rotatable bonds, 6 hydrogen bond donors, and 23 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;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;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 158514652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).