6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate

C108H135Cl2N13O19Si — CID 161218806

About 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate

6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate (PubChem CID 161218806) has the molecular formula C108H135Cl2N13O19Si and a molecular weight of 2018.33 g/mol. Its IUPAC name is 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate.

Molecular Properties

• Compound Name: 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate
• PubChem CID: 161218806
• Molecular Formula: C108H135Cl2N13O19Si
• Molecular Weight: 2018.33 g/mol
• Exact Mass: 2015.91
• IUPAC Name: 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-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(N3CCCC(CO)C3)ccc2C)c(C)c1.COC(=O)c1cc(C)c(NC(=O)c2nc(N3CCCC(CO[Si](C)(C)C(C)(C)C)C3)ccc2C)c(C)c1.Cc1ccc(Cl)nc1C(=O)O.Cc1ccc(N2CCCC(CO)C2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C
• InChI: InChI=1S/C29H43N3O4Si.C23H29N3O4.C22H27N3O4.C17H17ClN2O3.C10H13NO2.C7H6ClNO2/c1-19-12-13-24(32-14-10-11-22(17-32)18-36-37(8,9)29(4,5)6)30-26(19)27(33)31-25-20(2)15-23(16-21(25)3)28(34)35-7;1-14-7-8-19(26-9-5-6-17(12-26)13-27)24-21(14)22(28)25-20-15(2)10-18(11-16(20)3)23(29)30-4;1-13-6-7-18(25-8-4-5-16(11-25)12-26)23-20(13)21(27)24-19-14(2)9-17(22(28)29)10-15(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/h12-13,15-16,22H,10-11,14,17-18H2,1-9H3,(H,31,33);7-8,10-11,17,27H,5-6,9,12-13H2,1-4H3,(H,25,28);6-7,9-10,16,26H,4-5,8,11-12H2,1-3H3,(H,24,27)(H,28,29);5-8H,1-4H3,(H,20,21);4-5H,11H2,1-3H3;2-3H,1H3,(H,10,11)
• InChIKey: UXFOISCCJTVCID-UHFFFAOYSA-N
• XLogP: 19.82
• TPSA: 446.08 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2018.33
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate?

The IUPAC name of 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate (CID 161218806) is 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-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-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate?

The canonical SMILES for 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-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(N3CCCC(CO)C3)ccc2C)c(C)c1.COC(=O)c1cc(C)c(NC(=O)c2nc(N3CCCC(CO[Si](C)(C)C(C)(C)C)C3)ccc2C)c(C)c1.Cc1ccc(Cl)nc1C(=O)O.Cc1ccc(N2CCCC(CO)C2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C.

What is the InChIKey of 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate?

The InChIKey is UXFOISCCJTVCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N3O4Si.C23H29N3O4.C22H27N3O4.C17H17ClN2O3.C10H13NO2.C7H6ClNO2/c1-19-12-13-24(32-14-10-11-22(17-32)18-36-37(8,9)29(4,5)6)30-26(19)27(33)31-25-20(2)15-23(16-21(25)3)28(34)35-7;1-14-7-8-19(26-9-5-6-17(12-26)13-27)24-21(14)22(28)25-20-15(2)10-18(11-16(20)3)23(29)30-4;1-13-6-7-18(25-8-4-5-16(11-25)12-26)23-20(13)21(27)24-19-14(2)9-17(22(28)29)10-15(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/h12-13,15-16,22H,10-11,14,17-18H2,1-9H3,(H,31,33);7-8,10-11,17,27H,5-6,9,12-13H2,1-4H3,(H,25,28);6-7,9-10,16,26H,4-5,8,11-12H2,1-3H3,(H,24,27)(H,28,29);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-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate?

6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate has a molecular weight of 2018.33 g/mol, XLogP of 19.82, 22 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-methylpyridine-2-carboxylic acid;4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate is sourced from PubChem (CID 161218806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).