2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide

C80H116Cl2N16O10S4 — CID 161180861

About 2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide

2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide (PubChem CID 161180861) has the molecular formula C80H116Cl2N16O10S4 and a molecular weight of 1661.08 g/mol. Its IUPAC name is 2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide
• PubChem CID: 161180861
• Molecular Formula: C80H116Cl2N16O10S4
• Molecular Weight: 1661.08 g/mol
• Exact Mass: 1658.73
• IUPAC Name: 2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide
• SMILES: CCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.COCC(=S)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)(C)C)nc2C)CC1
• InChI: InChI=1S/C29H44N6O4S.C27H40N6O4S.C24H32Cl2N4O2S2/c1-19-16-24(26(36)32-29(4,5)6)31-21(3)25(19)27(37)30-12-8-20(2)34-13-9-23(10-14-34)35(28(38)33-39-7)17-22-11-15-40-18-22;1-6-28-25(34)23-15-18(2)24(20(4)30-23)26(35)29-11-7-19(3)32-12-8-22(9-13-32)33(27(36)31-37-5)16-21-10-14-38-17-21;1-16-12-20(25)28-23(26)22(16)24(31)27-8-4-17(2)29-9-5-19(6-10-29)30(21(33)14-32-3)13-18-7-11-34-15-18/h11,15-16,18,20,23H,8-10,12-14,17H2,1-7H3,(H,30,37)(H,32,36)(H,33,38);10,14-15,17,19,22H,6-9,11-13,16H2,1-5H3,(H,28,34)(H,29,35)(H,31,36);7,11-12,15,17,19H,4-6,8-10,13-14H2,1-3H3,(H,27,31)/t20-;19-;17-/m111/s1
• InChIKey: USKXBKAYOXQALV-XAPOLPSYSA-N
• XLogP: 12.50
• TPSA: 289.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1661.08
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide?

The IUPAC name of 2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide (CID 161180861) is 2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide.

What is the SMILES notation for 2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide?

The canonical SMILES for 2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide is CCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.COCC(=S)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)(C)C)nc2C)CC1.

What is the InChIKey of 2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide?

The InChIKey is USKXBKAYOXQALV-XAPOLPSYSA-N. The full InChI is InChI=1S/C29H44N6O4S.C27H40N6O4S.C24H32Cl2N4O2S2/c1-19-16-24(26(36)32-29(4,5)6)31-21(3)25(19)27(37)30-12-8-20(2)34-13-9-23(10-14-34)35(28(38)33-39-7)17-22-11-15-40-18-22;1-6-28-25(34)23-15-18(2)24(20(4)30-23)26(35)29-11-7-19(3)32-12-8-22(9-13-32)33(27(36)31-37-5)16-21-10-14-38-17-21;1-16-12-20(25)28-23(26)22(16)24(31)27-8-4-17(2)29-9-5-19(6-10-29)30(21(33)14-32-3)13-18-7-11-34-15-18/h11,15-16,18,20,23H,8-10,12-14,17H2,1-7H3,(H,30,37)(H,32,36)(H,33,38);10,14-15,17,19,22H,6-9,11-13,16H2,1-5H3,(H,28,34)(H,29,35)(H,31,36);7,11-12,15,17,19H,4-6,8-10,13-14H2,1-3H3,(H,27,31)/t20-;19-;17-/m111/s1.

What are the key properties of 2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide?

2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide has a molecular weight of 1661.08 g/mol, XLogP of 12.50, 31 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2-N-ethyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 161180861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).