6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate

C79H92Cl2N10O15 — CID 159268730

About 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate

6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate (PubChem CID 159268730) has the molecular formula C79H92Cl2N10O15 and a molecular weight of 1492.57 g/mol. Its IUPAC name is 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate.

Molecular Properties

• Compound Name: 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate
• PubChem CID: 159268730
• Molecular Formula: C79H92Cl2N10O15
• Molecular Weight: 1492.57 g/mol
• Exact Mass: 1490.61
• IUPAC Name: 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate
• SMILES: COC(=O)c1cc(C)c(N)c(C)c1.COC(=O)c1cc(C)c(NC(=O)c2nc(Cl)ccc2C)c(C)c1.COC(=O)c1cc(C)c(NC(=O)c2nc(N3CCC(OC)CC3)ccc2C)c(C)c1.COC1CCN(c2ccc(C)c(C(=O)Nc3c(C)cc(C(=O)O)cc3C)n2)CC1.Cc1ccc(Cl)nc1C(=O)O
• InChI: InChI=1S/C23H29N3O4.C22H27N3O4.C17H17ClN2O3.C10H13NO2.C7H6ClNO2/c1-14-6-7-19(26-10-8-18(29-4)9-11-26)24-21(14)22(27)25-20-15(2)12-17(13-16(20)3)23(28)30-5;1-13-5-6-18(25-9-7-17(29-4)8-10-25)23-20(13)21(26)24-19-14(2)11-16(22(27)28)12-15(19)3;1-9-5-6-13(18)19-15(9)16(21)20-14-10(2)7-12(8-11(14)3)17(22)23-4;1-6-4-8(10(12)13-3)5-7(2)9(6)11;1-4-2-3-5(8)9-6(4)7(10)11/h6-7,12-13,18H,8-11H2,1-5H3,(H,25,27);5-6,11-12,17H,7-10H2,1-4H3,(H,24,26)(H,27,28);5-8H,1-4H3,(H,20,21);4-5H,11H2,1-3H3;2-3H,1H3,(H,10,11)
• InChIKey: KXKYJTIYVNSLBN-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 343.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1492.57
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

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;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate?

The IUPAC name of 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate (CID 159268730) is 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate.

What is the SMILES notation for 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate?

The canonical SMILES for 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate is COC(=O)c1cc(C)c(N)c(C)c1.COC(=O)c1cc(C)c(NC(=O)c2nc(Cl)ccc2C)c(C)c1.COC(=O)c1cc(C)c(NC(=O)c2nc(N3CCC(OC)CC3)ccc2C)c(C)c1.COC1CCN(c2ccc(C)c(C(=O)Nc3c(C)cc(C(=O)O)cc3C)n2)CC1.Cc1ccc(Cl)nc1C(=O)O.

What is the InChIKey of 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate?

The InChIKey is KXKYJTIYVNSLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4.C22H27N3O4.C17H17ClN2O3.C10H13NO2.C7H6ClNO2/c1-14-6-7-19(26-10-8-18(29-4)9-11-26)24-21(14)22(27)25-20-15(2)12-17(13-16(20)3)23(28)30-5;1-13-5-6-18(25-9-7-17(29-4)8-10-25)23-20(13)21(26)24-19-14(2)11-16(22(27)28)12-15(19)3;1-9-5-6-13(18)19-15(9)16(21)20-14-10(2)7-12(8-11(14)3)17(22)23-4;1-6-4-8(10(12)13-3)5-7(2)9(6)11;1-4-2-3-5(8)9-6(4)7(10)11/h6-7,12-13,18H,8-11H2,1-5H3,(H,25,27);5-6,11-12,17H,7-10H2,1-4H3,(H,24,26)(H,27,28);5-8H,1-4H3,(H,20,21);4-5H,11H2,1-3H3;2-3H,1H3,(H,10,11).

What are the key properties of 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate?

6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate has a molecular weight of 1492.57 g/mol, XLogP of 14.35, 15 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate is sourced from PubChem (CID 159268730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).