butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane

C76H125Br5N12O10 — CID 159441066

About butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane

butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane (PubChem CID 159441066) has the molecular formula C76H125Br5N12O10 and a molecular weight of 1766.43 g/mol. Its IUPAC name is butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane.

Molecular Properties

• Compound Name: butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane
• PubChem CID: 159441066
• Molecular Formula: C76H125Br5N12O10
• Molecular Weight: 1766.43 g/mol
• Exact Mass: 1760.56
• IUPAC Name: butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane
• SMILES: C.C.C.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CCCC.CCN(C)c1cc(C(=O)O)cc(NC2CCC2)n1.CCN(C)c1cc(C(=O)OC(C)(C)C)cc(Br)n1.CCN(C)c1cc(C(=O)OC(C)(C)C)cc(NC2CCC2)n1.CCN(CC)CC.NC1CCC1.O=C(O)c1cc(Br)nc(Br)c1
• InChI: InChI=1S/C17H27N3O2.C13H19BrN2O2.C13H19N3O2.C10H11Br2NO2.C6H3Br2NO2.C6H15N.C4H9N.C4H10.3CH4/c1-6-20(5)15-11-12(16(21)22-17(2,3)4)10-14(19-15)18-13-8-7-9-13;1-6-16(5)11-8-9(7-10(14)15-11)12(17)18-13(2,3)4;1-3-16(2)12-8-9(13(17)18)7-11(15-12)14-10-5-4-6-10;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;7-4-1-3(6(10)11)2-5(8)9-4;1-4-7(5-2)6-3;5-4-2-1-3-4;1-3-4-2;;;/h10-11,13H,6-9H2,1-5H3,(H,18,19);7-8H,6H2,1-5H3;7-8,10H,3-6H2,1-2H3,(H,14,15)(H,17,18);4-5H,1-3H3;1-2H,(H,10,11);4-6H2,1-3H3;4H,1-3,5H2;3-4H2,1-2H3;3*1H4
• InChIKey: LSEJSZJKVYUTOB-UHFFFAOYSA-N
• XLogP: 20.34
• TPSA: 280.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.43
LogP ≤ 5	20.34
H-Bond Donors ≤ 5	5
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'}

Frequently Asked Questions

What is the IUPAC name of butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane?

The IUPAC name of butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane (CID 159441066) is butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane.

What is the SMILES notation for butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane?

The canonical SMILES for butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane is C.C.C.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CCCC.CCN(C)c1cc(C(=O)O)cc(NC2CCC2)n1.CCN(C)c1cc(C(=O)OC(C)(C)C)cc(Br)n1.CCN(C)c1cc(C(=O)OC(C)(C)C)cc(NC2CCC2)n1.CCN(CC)CC.NC1CCC1.O=C(O)c1cc(Br)nc(Br)c1.

What is the InChIKey of butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane?

The InChIKey is LSEJSZJKVYUTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.C13H19BrN2O2.C13H19N3O2.C10H11Br2NO2.C6H3Br2NO2.C6H15N.C4H9N.C4H10.3CH4/c1-6-20(5)15-11-12(16(21)22-17(2,3)4)10-14(19-15)18-13-8-7-9-13;1-6-16(5)11-8-9(7-10(14)15-11)12(17)18-13(2,3)4;1-3-16(2)12-8-9(13(17)18)7-11(15-12)14-10-5-4-6-10;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;7-4-1-3(6(10)11)2-5(8)9-4;1-4-7(5-2)6-3;5-4-2-1-3-4;1-3-4-2;;;/h10-11,13H,6-9H2,1-5H3,(H,18,19);7-8H,6H2,1-5H3;7-8,10H,3-6H2,1-2H3,(H,14,15)(H,17,18);4-5H,1-3H3;1-2H,(H,10,11);4-6H2,1-3H3;4H,1-3,5H2;3-4H2,1-2H3;3*1H4.

What are the key properties of butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane?

butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane has a molecular weight of 1766.43 g/mol, XLogP of 20.34, 19 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for butane;tert-butyl 2-bromo-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[ethyl(methyl)amino]pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane is sourced from PubChem (CID 159441066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).