tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine

C84H137Br5N16O10 — CID 158745977

About tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine

tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine (PubChem CID 158745977) has the molecular formula C84H137Br5N16O10 and a molecular weight of 1930.64 g/mol. Its IUPAC name is tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine.

Molecular Properties

• Compound Name: tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine
• PubChem CID: 158745977
• Molecular Formula: C84H137Br5N16O10
• Molecular Weight: 1930.64 g/mol
• Exact Mass: 1924.66
• IUPAC Name: tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine
• SMILES: C.C.C.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CCN(CC)CC.CN1CCCCC1.CN1CCN(c2cc(C(=O)O)cc(NC3CCC3)n2)CC1.CN1CCN(c2cc(C(=O)OC(C)(C)C)cc(Br)n2)CC1.CN1CCN(c2cc(C(=O)OC(C)(C)C)cc(NC3CCC3)n2)CC1.NC1CCC1.O=C(O)c1cc(Br)nc(Br)c1
• InChI: InChI=1S/C19H30N4O2.C15H22BrN3O2.C15H22N4O2.C10H11Br2NO2.C6H3Br2NO2.C6H13N.C6H15N.C4H9N.3CH4/c1-19(2,3)25-18(24)14-12-16(20-15-6-5-7-15)21-17(13-14)23-10-8-22(4)9-11-23;1-15(2,3)21-14(20)11-9-12(16)17-13(10-11)19-7-5-18(4)6-8-19;1-18-5-7-19(8-6-18)14-10-11(15(20)21)9-13(17-14)16-12-3-2-4-12;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;1-7-5-3-2-4-6-7;1-4-7(5-2)6-3;5-4-2-1-3-4;;;/h12-13,15H,5-11H2,1-4H3,(H,20,21);9-10H,5-8H2,1-4H3;9-10,12H,2-8H2,1H3,(H,16,17)(H,20,21);4-5H,1-3H3;1-2H,(H,10,11);2-6H2,1H3;4-6H2,1-3H3;4H,1-3,5H2;3*1H4
• InChIKey: IMWTWESATZKMDU-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 293.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.64
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

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 tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine?

The IUPAC name of tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine (CID 158745977) is tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine.

What is the SMILES notation for tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine?

The canonical SMILES for tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine is C.C.C.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CCN(CC)CC.CN1CCCCC1.CN1CCN(c2cc(C(=O)O)cc(NC3CCC3)n2)CC1.CN1CCN(c2cc(C(=O)OC(C)(C)C)cc(Br)n2)CC1.CN1CCN(c2cc(C(=O)OC(C)(C)C)cc(NC3CCC3)n2)CC1.NC1CCC1.O=C(O)c1cc(Br)nc(Br)c1.

What is the InChIKey of tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine?

The InChIKey is IMWTWESATZKMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.C15H22BrN3O2.C15H22N4O2.C10H11Br2NO2.C6H3Br2NO2.C6H13N.C6H15N.C4H9N.3CH4/c1-19(2,3)25-18(24)14-12-16(20-15-6-5-7-15)21-17(13-14)23-10-8-22(4)9-11-23;1-15(2,3)21-14(20)11-9-12(16)17-13(10-11)19-7-5-18(4)6-8-19;1-18-5-7-19(8-6-18)14-10-11(15(20)21)9-13(17-14)16-12-3-2-4-12;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;1-7-5-3-2-4-6-7;1-4-7(5-2)6-3;5-4-2-1-3-4;;;/h12-13,15H,5-11H2,1-4H3,(H,20,21);9-10H,5-8H2,1-4H3;9-10,12H,2-8H2,1H3,(H,16,17)(H,20,21);4-5H,1-3H3;1-2H,(H,10,11);2-6H2,1H3;4-6H2,1-3H3;4H,1-3,5H2;3*1H4.

What are the key properties of tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine?

tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine has a molecular weight of 1930.64 g/mol, XLogP of 17.52, 15 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-bromo-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-methylpiperidine is sourced from PubChem (CID 158745977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).