6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine

C92H139BBr2F3N15O15S — CID 164981964

About 6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine

6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine (PubChem CID 164981964) has the molecular formula C92H139BBr2F3N15O15S and a molecular weight of 1954.89 g/mol. Its IUPAC name is 6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine
• PubChem CID: 164981964
• Molecular Formula: C92H139BBr2F3N15O15S
• Molecular Weight: 1954.89 g/mol
• Exact Mass: 1951.87
• IUPAC Name: 6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine
• SMILES: CC1CC=C(B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1.CC1CC=C(OS(=O)(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C1.CC1CC=C(c2ccc(N(C)C(=O)OC(C)(C)C)cn2)N(C(=O)OC(C)(C)C)C1.CN(C(=O)OC(C)(C)C)c1ccc(Br)nc1.CNc1ccc(Br)nc1.CNc1ccc(C2=NCC(C)CC2)nc1.CNc1ccc([C@@H]2CC[C@@H](C)CN2)nc1
• InChI: InChI=1S/C22H33N3O4.C17H30BNO4.C12H18F3NO5S.C12H19N3.C12H17N3.C11H15BrN2O2.C6H7BrN2/c1-15-9-12-18(25(14-15)20(27)29-22(5,6)7)17-11-10-16(13-23-17)24(8)19(26)28-21(2,3)4;1-12-9-10-13(18-22-16(5,6)17(7,8)23-18)19(11-12)14(20)21-15(2,3)4;1-8-5-6-9(21-22(18,19)12(13,14)15)16(7-8)10(17)20-11(2,3)4;2*1-9-3-5-11(14-7-9)12-6-4-10(13-2)8-15-12;1-11(2,3)16-10(15)14(4)8-5-6-9(12)13-7-8;1-8-5-2-3-6(7)9-4-5/h10-13,15H,9,14H2,1-8H3;10,12H,9,11H2,1-8H3;6,8H,5,7H2,1-4H3;4,6,8-9,11,13-14H,3,5,7H2,1-2H3;4,6,8-9,13H,3,5,7H2,1-2H3;5-7H,1-4H3;2-4,8H,1H3/t;;;9-,11+;;;/m...1.../s1
• InChIKey: FPVAYULNQYXJMI-WZLGMOMJSA-N
• XLogP: 21.45
• TPSA: 334.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1954.89
LogP ≤ 5	21.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine?

The IUPAC name of 6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine (CID 164981964) is 6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine.

What is the SMILES notation for 6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine?

The canonical SMILES for 6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine is CC1CC=C(B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1.CC1CC=C(OS(=O)(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C1.CC1CC=C(c2ccc(N(C)C(=O)OC(C)(C)C)cn2)N(C(=O)OC(C)(C)C)C1.CN(C(=O)OC(C)(C)C)c1ccc(Br)nc1.CNc1ccc(Br)nc1.CNc1ccc(C2=NCC(C)CC2)nc1.CNc1ccc([C@@H]2CC[C@@H](C)CN2)nc1.

What is the InChIKey of 6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine?

The InChIKey is FPVAYULNQYXJMI-WZLGMOMJSA-N. The full InChI is InChI=1S/C22H33N3O4.C17H30BNO4.C12H18F3NO5S.C12H19N3.C12H17N3.C11H15BrN2O2.C6H7BrN2/c1-15-9-12-18(25(14-15)20(27)29-22(5,6)7)17-11-10-16(13-23-17)24(8)19(26)28-21(2,3)4;1-12-9-10-13(18-22-16(5,6)17(7,8)23-18)19(11-12)14(20)21-15(2,3)4;1-8-5-6-9(21-22(18,19)12(13,14)15)16(7-8)10(17)20-11(2,3)4;2*1-9-3-5-11(14-7-9)12-6-4-10(13-2)8-15-12;1-11(2,3)16-10(15)14(4)8-5-6-9(12)13-7-8;1-8-5-2-3-6(7)9-4-5/h10-13,15H,9,14H2,1-8H3;10,12H,9,11H2,1-8H3;6,8H,5,7H2,1-4H3;4,6,8-9,11,13-14H,3,5,7H2,1-2H3;4,6,8-9,13H,3,5,7H2,1-2H3;5-7H,1-4H3;2-4,8H,1H3/t;;;9-,11+;;;/m...1.../s1.

What are the key properties of 6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine?

6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine has a molecular weight of 1954.89 g/mol, XLogP of 21.45, 11 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-methylpyridin-3-amine;tert-butyl N-(6-bromo-3-pyridinyl)-N-methylcarbamate;tert-butyl 3-methyl-6-[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;N-methyl-6-[(2S,5R)-5-methylpiperidin-2-yl]pyridin-3-amine;N-methyl-6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridin-3-amine is sourced from PubChem (CID 164981964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).