6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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

C136H178Cl7N29O13S5 — CID 158740315

About 6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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

6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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 158740315) has the molecular formula C136H178Cl7N29O13S5 and a molecular weight of 2835.62 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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: 6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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: 158740315
• Molecular Formula: C136H178Cl7N29O13S5
• Molecular Weight: 2835.62 g/mol
• Exact Mass: 2830.06
• IUPAC Name: 6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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(C)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)Cc2ccccn2)CC1.Cc1nc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOCC2)CC1
• InChI: InChI=1S/C28H33Cl2N5O2S.C28H42N6O3S.C27H33Cl2N5O3S.C27H34ClN7O2S.C26H36Cl2N6O3S/c1-19-15-24(29)33-27(30)26(19)28(37)32-11-6-20(2)34-12-7-23(8-13-34)35(17-21-9-14-38-18-21)25(36)16-22-5-3-4-10-31-22;1-18(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;1-18-14-23(28)32-20(3)25(18)26(36)31-8-4-19(2)34-11-5-22(6-12-34)35(16-21-7-13-38-17-21)27(37)33-24-15-29-9-10-30-24;1-18(3-7-29-25(36)23-19(2)30-26(28)31-24(23)27)33-8-4-21(5-9-33)34(15-20-6-14-38-17-20)22(35)16-32-10-12-37-13-11-32/h3-5,9-10,14-15,18,20,23H,6-8,11-13,16-17H2,1-2H3,(H,32,37);10,14-15,17-18,20,23H,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);7,9-10,13-15,17,19,22H,4-6,8,11-12,16H2,1-3H3,(H,31,36)(H,30,33,37);6,14,17-18,21H,3-5,7-13,15-16H2,1-2H3,(H,29,36)/t2*20-;19-;;18-/m111.1/s1
• InChIKey: IMFCKLYKRQQDGH-HUZQHGIHSA-N
• XLogP: 22.81
• TPSA: 470.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 49
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2835.62
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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 6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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 158740315) is 6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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 6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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 6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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(C)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)Cc2ccccn2)CC1.Cc1nc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOCC2)CC1.

What is the InChIKey of 6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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 IMFCKLYKRQQDGH-HUZQHGIHSA-N. The full InChI is InChI=1S/C28H33Cl2N5O2S.C28H42N6O3S.C27H33Cl2N5O3S.C27H34ClN7O2S.C26H36Cl2N6O3S/c1-19-15-24(29)33-27(30)26(19)28(37)32-11-6-20(2)34-12-7-23(8-13-34)35(17-21-9-14-38-18-21)25(36)16-22-5-3-4-10-31-22;1-18(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;1-18-14-23(28)32-20(3)25(18)26(36)31-8-4-19(2)34-11-5-22(6-12-34)35(16-21-7-13-38-17-21)27(37)33-24-15-29-9-10-30-24;1-18(3-7-29-25(36)23-19(2)30-26(28)31-24(23)27)33-8-4-21(5-9-33)34(15-20-6-14-38-17-20)22(35)16-32-10-12-37-13-11-32/h3-5,9-10,14-15,18,20,23H,6-8,11-13,16-17H2,1-2H3,(H,32,37);10,14-15,17-18,20,23H,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);7,9-10,13-15,17,19,22H,4-6,8,11-12,16H2,1-3H3,(H,31,36)(H,30,33,37);6,14,17-18,21H,3-5,7-13,15-16H2,1-2H3,(H,29,36)/t2*20-;19-;;18-/m111.1/s1.

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

6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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 2835.62 g/mol, XLogP of 22.81, 49 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2,4-dimethyl-N-[3-[4-[pyrazin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;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;2,4-dichloro-6-methyl-N-[(3R)-3-[4-[(2-morpholin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(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 158740315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).