2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate

C101H125Cl8N25O11S4 — CID 161290966

About 2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate

2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate (PubChem CID 161290966) has the molecular formula C101H125Cl8N25O11S4 and a molecular weight of 2277.17 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate.

Molecular Properties

• Compound Name: 2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate
• PubChem CID: 161290966
• Molecular Formula: C101H125Cl8N25O11S4
• Molecular Weight: 2277.17 g/mol
• Exact Mass: 2271.64
• IUPAC Name: 2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate
• SMILES: COC(=O)CNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC#N)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2[nH]ncc2C#N)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)on1
• InChI: InChI=1S/C26H30Cl2N8O2S.C26H32Cl2N6O3S.C25H33Cl2N5O4S.C24H30Cl2N6O2S/c1-16-11-21(27)32-23(28)22(16)25(37)30-7-3-17(2)35-8-4-20(5-9-35)36(14-18-6-10-39-15-18)26(38)33-24-19(12-29)13-31-34-24;1-16-12-21(27)30-24(28)23(16)25(35)29-8-4-18(3)33-9-5-20(6-10-33)34(14-19-7-11-38-15-19)26(36)31-22-13-17(2)32-37-22;1-16-12-20(26)30-23(27)22(16)24(34)28-8-4-17(2)31-9-5-19(6-10-31)32(14-18-7-11-37-15-18)25(35)29-13-21(33)36-3;1-16-13-20(25)30-22(26)21(16)23(33)28-8-3-17(2)31-10-4-19(5-11-31)32(24(34)29-9-7-27)14-18-6-12-35-15-18/h6,10-11,13,15,17,20H,3-5,7-9,14H2,1-2H3,(H,30,37)(H2,31,33,34,38);7,11-13,15,18,20H,4-6,8-10,14H2,1-3H3,(H,29,35)(H,31,36);7,11-12,15,17,19H,4-6,8-10,13-14H2,1-3H3,(H,28,34)(H,29,35);6,12-13,15,17,19H,3-5,8-11,14H2,1-2H3,(H,28,33)(H,29,34)/t17-;18-;2*17-/m1111/s1
• InChIKey: VGILEVAAVSWWMC-HUZSIIOYSA-N
• XLogP: 19.40
• TPSA: 438.87 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 37
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2277.17
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate?

The IUPAC name of 2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate (CID 161290966) is 2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate.

What is the SMILES notation for 2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate?

The canonical SMILES for 2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate is COC(=O)CNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC#N)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2[nH]ncc2C#N)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)on1.

What is the InChIKey of 2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate?

The InChIKey is VGILEVAAVSWWMC-HUZSIIOYSA-N. The full InChI is InChI=1S/C26H30Cl2N8O2S.C26H32Cl2N6O3S.C25H33Cl2N5O4S.C24H30Cl2N6O2S/c1-16-11-21(27)32-23(28)22(16)25(37)30-7-3-17(2)35-8-4-20(5-9-35)36(14-18-6-10-39-15-18)26(38)33-24-19(12-29)13-31-34-24;1-16-12-21(27)30-24(28)23(16)25(35)29-8-4-18(3)33-9-5-20(6-10-33)34(14-19-7-11-38-15-19)26(36)31-22-13-17(2)32-37-22;1-16-12-20(26)30-23(27)22(16)24(34)28-8-4-17(2)31-9-5-19(6-10-31)32(14-18-7-11-37-15-18)25(35)29-13-21(33)36-3;1-16-13-20(25)30-22(26)21(16)23(33)28-8-3-17(2)31-10-4-19(5-11-31)32(24(34)29-9-7-27)14-18-6-12-35-15-18/h6,10-11,13,15,17,20H,3-5,7-9,14H2,1-2H3,(H,30,37)(H2,31,33,34,38);7,11-13,15,18,20H,4-6,8-10,14H2,1-3H3,(H,29,35)(H,31,36);7,11-12,15,17,19H,4-6,8-10,13-14H2,1-3H3,(H,28,34)(H,29,35);6,12-13,15,17,19H,3-5,8-11,14H2,1-2H3,(H,28,33)(H,29,34)/t17-;18-;2*17-/m1111/s1.

What are the key properties of 2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate?

2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate has a molecular weight of 2277.17 g/mol, XLogP of 19.40, 37 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate is sourced from PubChem (CID 161290966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).