3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

C117H198BBr2N13O12 — CID 157175755

About 3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (PubChem CID 157175755) has the molecular formula C117H198BBr2N13O12 and a molecular weight of 2149.57 g/mol. Its IUPAC name is 3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.

Molecular Properties

• Compound Name: 3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
• PubChem CID: 157175755
• Molecular Formula: C117H198BBr2N13O12
• Molecular Weight: 2149.57 g/mol
• Exact Mass: 2146.37
• IUPAC Name: 3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)OC(=O)N1CCc2cccc(C(=O)O)c2C1.CN.CNC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)CC2.CNC(=O)c1cccc2c1CN(c1ccc(B3OC(C)(C)C(C)(C)O3)c(C)n1)CC2.CNC(=O)c1cccc2c1CN(c1ccc(Br)c(C)n1)CC2.CNC(=O)c1cccc2c1CNCC2.Cc1ccc(Br)c(C)n1
• InChI: InChI=1S/C23H30BN3O3.C17H18BrN3O.C16H22N2O3.C15H19NO4.C11H14N2O.C7H8BrN.13C2H6.CH5N.CH4/c1-15-19(24-29-22(2,3)23(4,5)30-24)10-11-20(26-15)27-13-12-16-8-7-9-17(18(16)14-27)21(28)25-6;1-11-15(18)6-7-16(20-11)21-9-8-12-4-3-5-13(14(12)10-21)17(22)19-2;1-16(2,3)21-15(20)18-9-8-11-6-5-7-12(13(11)10-18)14(19)17-4;1-15(2,3)20-14(19)16-8-7-10-5-4-6-11(13(17)18)12(10)9-16;1-12-11(14)9-4-2-3-8-5-6-13-7-10(8)9;1-5-3-4-7(8)6(2)9-5;14*1-2;/h7-11H,12-14H2,1-6H3,(H,25,28);3-7H,8-10H2,1-2H3,(H,19,22);5-7H,8-10H2,1-4H3,(H,17,19);4-6H,7-9H2,1-3H3,(H,17,18);2-4,13H,5-7H2,1H3,(H,12,14);3-4H,1-2H3;13*1-2H3;2H2,1H3;1H4
• InChIKey: ANZDSIZQCJVQDM-UHFFFAOYSA-N
• XLogP: 27.41
• TPSA: 314.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2149.57
LogP ≤ 5	27.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?

The IUPAC name of 3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (CID 157175755) is 3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.

What is the SMILES notation for 3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?

The canonical SMILES for 3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)OC(=O)N1CCc2cccc(C(=O)O)c2C1.CN.CNC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)CC2.CNC(=O)c1cccc2c1CN(c1ccc(B3OC(C)(C)C(C)(C)O3)c(C)n1)CC2.CNC(=O)c1cccc2c1CN(c1ccc(Br)c(C)n1)CC2.CNC(=O)c1cccc2c1CNCC2.Cc1ccc(Br)c(C)n1.

What is the InChIKey of 3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?

The InChIKey is ANZDSIZQCJVQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BN3O3.C17H18BrN3O.C16H22N2O3.C15H19NO4.C11H14N2O.C7H8BrN.13C2H6.CH5N.CH4/c1-15-19(24-29-22(2,3)23(4,5)30-24)10-11-20(26-15)27-13-12-16-8-7-9-17(18(16)14-27)21(28)25-6;1-11-15(18)6-7-16(20-11)21-9-8-12-4-3-5-13(14(12)10-21)17(22)19-2;1-16(2,3)21-15(20)18-9-8-11-6-5-7-12(13(11)10-18)14(19)17-4;1-15(2,3)20-14(19)16-8-7-10-5-4-6-11(13(17)18)12(10)9-16;1-12-11(14)9-4-2-3-8-5-6-13-7-10(8)9;1-5-3-4-7(8)6(2)9-5;14*1-2;/h7-11H,12-14H2,1-6H3,(H,25,28);3-7H,8-10H2,1-2H3,(H,19,22);5-7H,8-10H2,1-4H3,(H,17,19);4-6H,7-9H2,1-3H3,(H,17,18);2-4,13H,5-7H2,1H3,(H,12,14);3-4H,1-2H3;13*1-2H3;2H2,1H3;1H4.

What are the key properties of 3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?

3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide has a molecular weight of 2149.57 g/mol, XLogP of 27.41, 8 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2,6-dimethylpyridine;2-(5-bromo-6-methyl-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-8-carboxamide;tert-butyl 8-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;methanamine;methane;N-methyl-2-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid;N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is sourced from PubChem (CID 157175755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).