2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride

C116H147ClN24O17S4 — CID 165004854

About 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride

2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride (PubChem CID 165004854) has the molecular formula C116H147ClN24O17S4 and a molecular weight of 2313.32 g/mol. Its IUPAC name is 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride.

Molecular Properties

• Compound Name: 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride
• PubChem CID: 165004854
• Molecular Formula: C116H147ClN24O17S4
• Molecular Weight: 2313.32 g/mol
• Exact Mass: 2310.99
• IUPAC Name: 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride
• SMILES: COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)C[C@@H]4C)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C[C@@H]4C)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@@H]4C)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)O)cc1C(N)=O.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)C[C@@H]4C)nc3c2)NC1.Cl
• InChI: InChI=1S/3C29H36N6O4S.C20H29N3S.C9H9N3O5.ClH/c3*1-16-5-7-23(18-6-8-24-22(11-18)33-28(40-24)20-9-10-34(3)15-17(20)2)35(14-16)29(38)26(37)32-19-12-21(25(30)36)27(39-4)31-13-19;1-13-4-6-17(21-11-13)15-5-7-19-18(10-15)22-20(24-19)16-8-9-23(3)12-14(16)2;1-17-8-5(6(10)13)2-4(3-11-8)12-7(14)9(15)16;/h3*6,8,11-13,16-17,20,23H,5,7,9-10,14-15H2,1-4H3,(H2,30,36)(H,32,37);5,7,10,13-14,16-17,21H,4,6,8-9,11-12H2,1-3H3;2-3H,1H3,(H2,10,13)(H,12,14)(H,15,16);1H/t16-,17-,20?,23+;16-,17-,20+,23+;16-,17-,20-,23+;13-,14-,16?,17+;;/m0000../s1
• InChIKey: SEKZDNDKUQEZJT-SCPXJDBOSA-N
• XLogP: 15.42
• TPSA: 552.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2313.32
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride?

The IUPAC name of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride (CID 165004854) is 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride.

What is the SMILES notation for 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride?

The canonical SMILES for 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride is COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)C[C@@H]4C)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C[C@@H]4C)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@@H]4C)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)O)cc1C(N)=O.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)C[C@@H]4C)nc3c2)NC1.Cl.

What is the InChIKey of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride?

The InChIKey is SEKZDNDKUQEZJT-SCPXJDBOSA-N. The full InChI is InChI=1S/3C29H36N6O4S.C20H29N3S.C9H9N3O5.ClH/c3*1-16-5-7-23(18-6-8-24-22(11-18)33-28(40-24)20-9-10-34(3)15-17(20)2)35(14-16)29(38)26(37)32-19-12-21(25(30)36)27(39-4)31-13-19;1-13-4-6-17(21-11-13)15-5-7-19-18(10-15)22-20(24-19)16-8-9-23(3)12-14(16)2;1-17-8-5(6(10)13)2-4(3-11-8)12-7(14)9(15)16;/h3*6,8,11-13,16-17,20,23H,5,7,9-10,14-15H2,1-4H3,(H2,30,36)(H,32,37);5,7,10,13-14,16-17,21H,4,6,8-9,11-12H2,1-3H3;2-3H,1H3,(H2,10,13)(H,12,14)(H,15,16);1H/t16-,17-,20?,23+;16-,17-,20+,23+;16-,17-,20-,23+;13-,14-,16?,17+;;/m0000../s1.

What are the key properties of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride?

2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride has a molecular weight of 2313.32 g/mol, XLogP of 15.42, 20 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-[(3R)-1,3-dimethylpiperidin-4-yl]-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 165004854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).