2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide

C108H143Cl6N23O11S4 — CID 159686058

About 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide

2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide (PubChem CID 159686058) has the molecular formula C108H143Cl6N23O11S4 and a molecular weight of 2280.47 g/mol. Its IUPAC name is 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide
• PubChem CID: 159686058
• Molecular Formula: C108H143Cl6N23O11S4
• Molecular Weight: 2280.47 g/mol
• Exact Mass: 2275.84
• IUPAC Name: 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide
• SMILES: CNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1.Cc1cc(CC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)on1.Cc1cc(Cl)nc(Cl)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)Nc2cnccn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOCC2)CC1
• InChI: InChI=1S/C28H42N6O3S.C27H33Cl2N5O3S.C27H37Cl2N5O3S.C26H31Cl2N7O2S/c1-18(2)31-26(35)24-15-19(3)25(21(5)32-24)27(36)30-11-7-20(4)33-12-8-23(9-13-33)34(28(37)29-6)16-22-10-14-38-17-22;1-17-12-23(28)31-26(29)25(17)27(36)30-8-4-19(3)33-9-5-21(6-10-33)34(15-20-7-11-38-16-20)24(35)14-22-13-18(2)32-37-22;1-19-15-23(28)31-26(29)25(19)27(36)30-7-3-20(2)33-8-4-22(5-9-33)34(16-21-6-14-38-18-21)24(35)17-32-10-12-37-13-11-32;1-17-13-21(27)32-24(28)23(17)25(36)31-7-3-18(2)34-10-4-20(5-11-34)35(15-19-6-12-38-16-19)26(37)33-22-14-29-8-9-30-22/h10,14-15,17-18,20,23H,7-9,11-13,16H2,1-6H3,(H,29,37)(H,30,36)(H,31,35);7,11-13,16,19,21H,4-6,8-10,14-15H2,1-3H3,(H,30,36);6,14-15,18,20,22H,3-5,7-13,16-17H2,1-2H3,(H,30,36);6,8-9,12-14,16,18,20H,3-5,7,10-11,15H2,1-2H3,(H,31,36)(H,30,33,37)/t20-;19-;20-;/m111./s1
• InChIKey: MVUVDEJECAZWOV-NPOVIHABSA-N
• XLogP: 18.36
• TPSA: 379.60 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 39
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2280.47
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide?

The IUPAC name of 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide (CID 159686058) is 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide.

What is the SMILES notation for 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide?

The canonical SMILES for 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide is CNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1.Cc1cc(CC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)on1.Cc1cc(Cl)nc(Cl)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)Nc2cnccn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOCC2)CC1.

What is the InChIKey of 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide?

The InChIKey is MVUVDEJECAZWOV-NPOVIHABSA-N. The full InChI is InChI=1S/C28H42N6O3S.C27H33Cl2N5O3S.C27H37Cl2N5O3S.C26H31Cl2N7O2S/c1-18(2)31-26(35)24-15-19(3)25(21(5)32-24)27(36)30-11-7-20(4)33-12-8-23(9-13-33)34(28(37)29-6)16-22-10-14-38-17-22;1-17-12-23(28)31-26(29)25(17)27(36)30-8-4-19(3)33-9-5-21(6-10-33)34(15-20-7-11-38-16-20)24(35)14-22-13-18(2)32-37-22;1-19-15-23(28)31-26(29)25(19)27(36)30-7-3-20(2)33-8-4-22(5-9-33)34(16-21-6-14-38-18-21)24(35)17-32-10-12-37-13-11-32;1-17-13-21(27)32-24(28)23(17)25(36)31-7-3-18(2)34-10-4-20(5-11-34)35(15-19-6-12-38-16-19)26(37)33-22-14-29-8-9-30-22/h10,14-15,17-18,20,23H,7-9,11-13,16H2,1-6H3,(H,29,37)(H,30,36)(H,31,35);7,11-13,16,19,21H,4-6,8-10,14-15H2,1-3H3,(H,30,36);6,14-15,18,20,22H,3-5,7-13,16-17H2,1-2H3,(H,30,36);6,8-9,12-14,16,18,20H,3-5,7,10-11,15H2,1-2H3,(H,31,36)(H,30,33,37)/t20-;19-;20-;/m111./s1.

What are the key properties of 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide?

2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide has a molecular weight of 2280.47 g/mol, XLogP of 18.36, 39 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-4-methyl-N-[(3R)-3-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-5-N-[(3R)-3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-propan-2-ylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 159686058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).