2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-piperidin-1-ylethanone

C88H137Br5N16O14 — CID 158248129

About 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-piperidin-1-ylethanone

2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-piperidin-1-ylethanone (PubChem CID 158248129) has the molecular formula C88H137Br5N16O14 and a molecular weight of 2042.68 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-piperidin-1-ylethanone
• PubChem CID: 158248129
• Molecular Formula: C88H137Br5N16O14
• Molecular Weight: 2042.68 g/mol
• Exact Mass: 2036.64
• IUPAC Name: 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-piperidin-1-ylethanone
• SMILES: C.C.C.CC(=O)N1CCCCC1.CC(=O)N1CCN(c2cc(C(=O)O)cc(NC3CCC3)n2)CC1.CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(Br)n2)CC1.CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(NC3CCC3)n2)CC1.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CCN(CC)CC.NC1CCC1.O=C(O)c1cc(Br)nc(Br)c1
• InChI: InChI=1S/C20H30N4O3.C16H22BrN3O3.C16H22N4O3.C10H11Br2NO2.C7H13NO.C6H3Br2NO2.C6H15N.C4H9N.3CH4/c1-14(25)23-8-10-24(11-9-23)18-13-15(19(26)27-20(2,3)4)12-17(22-18)21-16-6-5-7-16;1-11(21)19-5-7-20(8-6-19)14-10-12(9-13(17)18-14)15(22)23-16(2,3)4;1-11(21)19-5-7-20(8-6-19)15-10-12(16(22)23)9-14(18-15)17-13-3-2-4-13;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-7(9)8-5-3-2-4-6-8;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;;;/h12-13,16H,5-11H2,1-4H3,(H,21,22);9-10H,5-8H2,1-4H3;9-10,13H,2-8H2,1H3,(H,17,18)(H,22,23);4-5H,1-3H3;2-6H2,1H3;1-2H,(H,10,11);4-6H2,1-3H3;4H,1-3,5H2;3*1H4
• InChIKey: GGJNENJDTNJUEJ-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 362.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2042.68
LogP ≤ 5	17.19
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 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-piperidin-1-ylethanone?

The IUPAC name of 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-piperidin-1-ylethanone (CID 158248129) is 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-piperidin-1-ylethanone.

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

The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-piperidin-1-ylethanone is C.C.C.CC(=O)N1CCCCC1.CC(=O)N1CCN(c2cc(C(=O)O)cc(NC3CCC3)n2)CC1.CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(Br)n2)CC1.CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(NC3CCC3)n2)CC1.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CCN(CC)CC.NC1CCC1.O=C(O)c1cc(Br)nc(Br)c1.

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

The InChIKey is GGJNENJDTNJUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3.C16H22BrN3O3.C16H22N4O3.C10H11Br2NO2.C7H13NO.C6H3Br2NO2.C6H15N.C4H9N.3CH4/c1-14(25)23-8-10-24(11-9-23)18-13-15(19(26)27-20(2,3)4)12-17(22-18)21-16-6-5-7-16;1-11(21)19-5-7-20(8-6-19)14-10-12(9-13(17)18-14)15(22)23-16(2,3)4;1-11(21)19-5-7-20(8-6-19)15-10-12(16(22)23)9-14(18-15)17-13-3-2-4-13;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-7(9)8-5-3-2-4-6-8;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;;;/h12-13,16H,5-11H2,1-4H3,(H,21,22);9-10H,5-8H2,1-4H3;9-10,13H,2-8H2,1H3,(H,17,18)(H,22,23);4-5H,1-3H3;2-6H2,1H3;1-2H,(H,10,11);4-6H2,1-3H3;4H,1-3,5H2;3*1H4.

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

2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-piperidin-1-ylethanone has a molecular weight of 2042.68 g/mol, XLogP of 17.19, 15 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2,6-dibromopyridine-4-carboxylic acid;N,N-diethylethanamine;methane;1-piperidin-1-ylethanone is sourced from PubChem (CID 158248129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).