3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate

C84H107BBr6N14O20 — CID 158337250

About 3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate

3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate (PubChem CID 158337250) has the molecular formula C84H107BBr6N14O20 and a molecular weight of 2123.09 g/mol. Its IUPAC name is 3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate.

Molecular Properties

• Compound Name: 3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate
• PubChem CID: 158337250
• Molecular Formula: C84H107BBr6N14O20
• Molecular Weight: 2123.09 g/mol
• Exact Mass: 2116.30
• IUPAC Name: 3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate
• SMILES: CC(=O)c1nc(NC(=O)OC(C)(C)C)ccc1Br.CC(=O)c1nc(NC(=O)OC(C)(C)C)ccc1Br.CC(c1nc(NC(=O)OC(C)(C)C)ccc1-c1ccoc1)N(C)C.CC(c1nc(NC(=O)OC(C)(C)C)ccc1Br)N(C)C.COC(=O)c1nc(C)ccc1Br.CON(C)C(=O)c1nc(C)ccc1Br.Cc1ccc(Br)c(C(=O)O)n1.OB(O)c1ccoc1
• InChI: InChI=1S/C18H25N3O3.C14H22BrN3O2.2C12H15BrN2O3.C9H11BrN2O2.C8H8BrNO2.C7H6BrNO2.C4H5BO3/c1-12(21(5)6)16-14(13-9-10-23-11-13)7-8-15(19-16)20-17(22)24-18(2,3)4;1-9(18(5)6)12-10(15)7-8-11(16-12)17-13(19)20-14(2,3)4;2*1-7(16)10-8(13)5-6-9(14-10)15-11(17)18-12(2,3)4;1-6-4-5-7(10)8(11-6)9(13)12(2)14-3;1-5-3-4-6(9)7(10-5)8(11)12-2;1-4-2-3-5(8)6(9-4)7(10)11;6-5(7)4-1-2-8-3-4/h7-12H,1-6H3,(H,19,20,22);7-9H,1-6H3,(H,16,17,19);2*5-6H,1-4H3,(H,14,15,17);4-5H,1-3H3;3-4H,1-2H3;2-3H,1H3,(H,10,11);1-3,6-7H
• InChIKey: GQSROCFUSRQYQN-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 444.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2123.09
LogP ≤ 5	19.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate?

The IUPAC name of 3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate (CID 158337250) is 3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate.

What is the SMILES notation for 3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate?

The canonical SMILES for 3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate is CC(=O)c1nc(NC(=O)OC(C)(C)C)ccc1Br.CC(=O)c1nc(NC(=O)OC(C)(C)C)ccc1Br.CC(c1nc(NC(=O)OC(C)(C)C)ccc1-c1ccoc1)N(C)C.CC(c1nc(NC(=O)OC(C)(C)C)ccc1Br)N(C)C.COC(=O)c1nc(C)ccc1Br.CON(C)C(=O)c1nc(C)ccc1Br.Cc1ccc(Br)c(C(=O)O)n1.OB(O)c1ccoc1.

What is the InChIKey of 3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate?

The InChIKey is GQSROCFUSRQYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.C14H22BrN3O2.2C12H15BrN2O3.C9H11BrN2O2.C8H8BrNO2.C7H6BrNO2.C4H5BO3/c1-12(21(5)6)16-14(13-9-10-23-11-13)7-8-15(19-16)20-17(22)24-18(2,3)4;1-9(18(5)6)12-10(15)7-8-11(16-12)17-13(19)20-14(2,3)4;2*1-7(16)10-8(13)5-6-9(14-10)15-11(17)18-12(2,3)4;1-6-4-5-7(10)8(11-6)9(13)12(2)14-3;1-5-3-4-6(9)7(10-5)8(11)12-2;1-4-2-3-5(8)6(9-4)7(10)11;6-5(7)4-1-2-8-3-4/h7-12H,1-6H3,(H,19,20,22);7-9H,1-6H3,(H,16,17,19);2*5-6H,1-4H3,(H,14,15,17);4-5H,1-3H3;3-4H,1-2H3;2-3H,1H3,(H,10,11);1-3,6-7H.

What are the key properties of 3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate?

3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate has a molecular weight of 2123.09 g/mol, XLogP of 19.45, 16 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-methoxy-N,6-dimethylpyridine-2-carboxamide;3-bromo-6-methylpyridine-2-carboxylic acid;bis(tert-butyl N-(6-acetyl-5-bromo-2-pyridinyl)carbamate);tert-butyl N-[5-bromo-6-[1-(dimethylamino)ethyl]-2-pyridinyl]carbamate;tert-butyl N-[6-[1-(dimethylamino)ethyl]-5-(furan-3-yl)-2-pyridinyl]carbamate;furan-3-ylboronic acid;methyl 3-bromo-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 158337250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).