N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

C139H186Cl6N32O8S2 — CID 159063275

About N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide (PubChem CID 159063275) has the molecular formula C139H186Cl6N32O8S2 and a molecular weight of 2710.08 g/mol. Its IUPAC name is N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
• PubChem CID: 159063275
• Molecular Formula: C139H186Cl6N32O8S2
• Molecular Weight: 2710.08 g/mol
• Exact Mass: 2705.27
• IUPAC Name: N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
• SMILES: Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccncc2)CC1.Cc1ccncc1CN(C(=O)NC(C)C)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1ccncc1CN(C(=O)NC1CCCCC1)C1CCN([C@H](C)CCNC(=O)c2c(C)ccnc2Cl)CC1.[C-]#[N+]/C(C#N)=C(\NC)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.[C-]#[N+]N/C(=N\C)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1
• InChI: InChI=1S/C30H37ClN6O2.C30H43ClN6O2.C28H41ClN6O2.C26H31Cl2N7OS.C25H34ClN7OS/c1-21-19-27(31)34-23(3)28(21)29(38)33-16-9-22(2)36-17-12-26(13-18-36)37(20-24-7-5-4-6-8-24)30(39)35-25-10-14-32-15-11-25;1-21-9-14-32-19-24(21)20-37(30(39)35-25-7-5-4-6-8-25)26-12-17-36(18-13-26)23(3)11-16-34-29(38)27-22(2)10-15-33-28(27)31;1-18(2)32-28(37)35(17-23-16-30-11-7-19(23)3)24-9-13-34(14-10-24)21(5)8-12-31-27(36)26-20(4)15-25(29)33-22(26)6;1-17-13-22(27)33-24(28)23(17)26(36)32-9-5-18(2)34-10-6-20(7-11-34)35(15-19-8-12-37-16-19)25(31-4)21(14-29)30-3;1-17-14-22(26)30-19(3)23(17)24(34)29-10-6-18(2)32-11-7-21(8-12-32)33(25(27-4)31-28-5)15-20-9-13-35-16-20/h4-8,10-11,14-15,19,22,26H,9,12-13,16-18,20H2,1-3H3,(H,33,38)(H,32,35,39);9-10,14-15,19,23,25-26H,4-8,11-13,16-18,20H2,1-3H3,(H,34,38)(H,35,39);7,11,15-16,18,21,24H,8-10,12-14,17H2,1-6H3,(H,31,36)(H,32,37);8,12-13,16,18,20,31H,5-7,9-11,15H2,1-2,4H3,(H,32,36);9,13-14,16,18,21H,6-8,10-12,15H2,1-4H3,(H,27,31)(H,29,34)/b;;;25-21+;/t22-;23-;21-;2*18-/m11111/s1
• InChIKey: JYSVAXFDNASXKU-DZUBKNKSSA-N
• XLogP: 24.73
• TPSA: 437.25 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 45
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2710.08
LogP ≤ 5	24.73
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

The IUPAC name of N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide (CID 159063275) is N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

The canonical SMILES for N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccncc2)CC1.Cc1ccncc1CN(C(=O)NC(C)C)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1ccncc1CN(C(=O)NC1CCCCC1)C1CCN([C@H](C)CCNC(=O)c2c(C)ccnc2Cl)CC1.[C-]#[N+]/C(C#N)=C(\NC)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.[C-]#[N+]N/C(=N\C)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.

What is the InChIKey of N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

The InChIKey is JYSVAXFDNASXKU-DZUBKNKSSA-N. The full InChI is InChI=1S/C30H37ClN6O2.C30H43ClN6O2.C28H41ClN6O2.C26H31Cl2N7OS.C25H34ClN7OS/c1-21-19-27(31)34-23(3)28(21)29(38)33-16-9-22(2)36-17-12-26(13-18-36)37(20-24-7-5-4-6-8-24)30(39)35-25-10-14-32-15-11-25;1-21-9-14-32-19-24(21)20-37(30(39)35-25-7-5-4-6-8-25)26-12-17-36(18-13-26)23(3)11-16-34-29(38)27-22(2)10-15-33-28(27)31;1-18(2)32-28(37)35(17-23-16-30-11-7-19(23)3)24-9-13-34(14-10-24)21(5)8-12-31-27(36)26-20(4)15-25(29)33-22(26)6;1-17-13-22(27)33-24(28)23(17)26(36)32-9-5-18(2)34-10-6-20(7-11-34)35(15-19-8-12-37-16-19)25(31-4)21(14-29)30-3;1-17-14-22(26)30-19(3)23(17)24(34)29-10-6-18(2)32-11-7-21(8-12-32)33(25(27-4)31-28-5)15-20-9-13-35-16-20/h4-8,10-11,14-15,19,22,26H,9,12-13,16-18,20H2,1-3H3,(H,33,38)(H,32,35,39);9-10,14-15,19,23,25-26H,4-8,11-13,16-18,20H2,1-3H3,(H,34,38)(H,35,39);7,11,15-16,18,21,24H,8-10,12-14,17H2,1-6H3,(H,31,36)(H,32,37);8,12-13,16,18,20,31H,5-7,9-11,15H2,1-2,4H3,(H,32,36);9,13-14,16,18,21H,6-8,10-12,15H2,1-4H3,(H,27,31)(H,29,34)/b;;;25-21+;/t22-;23-;21-;2*18-/m11111/s1.

What are the key properties of N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide has a molecular weight of 2710.08 g/mol, XLogP of 24.73, 45 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 159063275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).