6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate

C85H96Cl3N11O17 — CID 157346331

About 6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate

6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate (PubChem CID 157346331) has the molecular formula C85H96Cl3N11O17 and a molecular weight of 1650.12 g/mol. Its IUPAC name is 6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate.

Molecular Properties

• Compound Name: 6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate
• PubChem CID: 157346331
• Molecular Formula: C85H96Cl3N11O17
• Molecular Weight: 1650.12 g/mol
• Exact Mass: 1647.61
• IUPAC Name: 6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate
• SMILES: COC(=O)c1ccc(C)c(N)c1C.COC(=O)c1ccc(C)c(NC(=O)c2nc(Cl)ccc2C)c1C.COC(=O)c1ccc(C)c(NC(=O)c2nc(N3CCC(O)CC3)ccc2C)c1C.COC(=O)c1nc(Cl)ccc1C.Cc1ccc(Cl)nc1C(=O)O.Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C
• InChI: InChI=1S/C22H27N3O4.C21H25N3O4.C17H17ClN2O3.C10H13NO2.C8H8ClNO2.C7H6ClNO2/c1-13-5-7-17(22(28)29-4)15(3)19(13)24-21(27)20-14(2)6-8-18(23-20)25-11-9-16(26)10-12-25;1-12-4-6-16(21(27)28)14(3)18(12)23-20(26)19-13(2)5-7-17(22-19)24-10-8-15(25)9-11-24;1-9-5-7-12(17(22)23-4)11(3)14(9)20-16(21)15-10(2)6-8-13(18)19-15;1-6-4-5-8(10(12)13-3)7(2)9(6)11;1-5-3-4-6(9)10-7(5)8(11)12-2;1-4-2-3-5(8)9-6(4)7(10)11/h5-8,16,26H,9-12H2,1-4H3,(H,24,27);4-7,15,25H,8-11H2,1-3H3,(H,23,26)(H,27,28);5-8H,1-4H3,(H,20,21);4-5H,11H2,1-3H3;3-4H,1-2H3;2-3H,1H3,(H,10,11)
• InChIKey: BHAAOQBVZDVPSM-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 404.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1650.12
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate?

The IUPAC name of 6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate (CID 157346331) is 6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate.

What is the SMILES notation for 6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate?

The canonical SMILES for 6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate is COC(=O)c1ccc(C)c(N)c1C.COC(=O)c1ccc(C)c(NC(=O)c2nc(Cl)ccc2C)c1C.COC(=O)c1ccc(C)c(NC(=O)c2nc(N3CCC(O)CC3)ccc2C)c1C.COC(=O)c1nc(Cl)ccc1C.Cc1ccc(Cl)nc1C(=O)O.Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C.

What is the InChIKey of 6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate?

The InChIKey is BHAAOQBVZDVPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4.C21H25N3O4.C17H17ClN2O3.C10H13NO2.C8H8ClNO2.C7H6ClNO2/c1-13-5-7-17(22(28)29-4)15(3)19(13)24-21(27)20-14(2)6-8-18(23-20)25-11-9-16(26)10-12-25;1-12-4-6-16(21(27)28)14(3)18(12)23-20(26)19-13(2)5-7-17(22-19)24-10-8-15(25)9-11-24;1-9-5-7-12(17(22)23-4)11(3)14(9)20-16(21)15-10(2)6-8-13(18)19-15;1-6-4-5-8(10(12)13-3)7(2)9(6)11;1-5-3-4-6(9)10-7(5)8(11)12-2;1-4-2-3-5(8)9-6(4)7(10)11/h5-8,16,26H,9-12H2,1-4H3,(H,24,27);4-7,15,25H,8-11H2,1-3H3,(H,23,26)(H,27,28);5-8H,1-4H3,(H,20,21);4-5H,11H2,1-3H3;3-4H,1-2H3;2-3H,1H3,(H,10,11).

What are the key properties of 6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate?

6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate has a molecular weight of 1650.12 g/mol, XLogP of 14.87, 14 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-methylpyridine-2-carboxylic acid;3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 3-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoate is sourced from PubChem (CID 157346331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).