dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid

C87H133Br3F3K2N17O20 — CID 162106077

About dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid

dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 162106077) has the molecular formula C87H133Br3F3K2N17O20 and a molecular weight of 2112.02 g/mol. Its IUPAC name is dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 162106077
• Molecular Formula: C87H133Br3F3K2N17O20
• Molecular Weight: 2112.02 g/mol
• Exact Mass: 2107.67
• IUPAC Name: dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid
• SMILES: C.C.CC(=O)N1CCC(N)CC1.CC(=O)N1CCC(Nc2cc(C(=O)O)cc(N3CCN(C(C)=O)CC3)n2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)CC1.CC(=O)N1CCCCC1.CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(Br)n2)CC1.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.O=C(O)C(F)(F)F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C23H35N5O4.C19H27N5O4.C16H22BrN3O3.C10H11Br2NO2.C7H14N2O.C7H13NO.C2HF3O2.CH2O3.2CH4.2K.H/c1-16(29)26-8-6-19(7-9-26)24-20-14-18(22(31)32-23(3,4)5)15-21(25-20)28-12-10-27(11-13-28)17(2)30;1-13(25)22-5-3-16(4-6-22)20-17-11-15(19(27)28)12-18(21-17)24-9-7-23(8-10-24)14(2)26;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;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-6(10)9-4-2-7(8)3-5-9;1-7(9)8-5-3-2-4-6-8;3-2(4,5)1(6)7;2-1-4-3;;;;;/h14-15,19H,6-13H2,1-5H3,(H,24,25);11-12,16H,3-10H2,1-2H3,(H,20,21)(H,27,28);9-10H,5-8H2,1-4H3;4-5H,1-3H3;7H,2-5,8H2,1H3;2-6H2,1H3;(H,6,7);1,3H;2*1H4;;;/q;;;;;;;;;;2*+1;-1/p-1
• InChIKey: FSRKOEDWPUCAOG-UHFFFAOYSA-M
• XLogP: 4.46
• TPSA: 456.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2112.02
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid (CID 162106077) is dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid is C.C.CC(=O)N1CCC(N)CC1.CC(=O)N1CCC(Nc2cc(C(=O)O)cc(N3CCN(C(C)=O)CC3)n2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)CC1.CC(=O)N1CCCCC1.CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(Br)n2)CC1.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.O=C(O)C(F)(F)F.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid?

The InChIKey is FSRKOEDWPUCAOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H35N5O4.C19H27N5O4.C16H22BrN3O3.C10H11Br2NO2.C7H14N2O.C7H13NO.C2HF3O2.CH2O3.2CH4.2K.H/c1-16(29)26-8-6-19(7-9-26)24-20-14-18(22(31)32-23(3,4)5)15-21(25-20)28-12-10-27(11-13-28)17(2)30;1-13(25)22-5-3-16(4-6-22)20-17-11-15(19(27)28)12-18(21-17)24-9-7-23(8-10-24)14(2)26;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;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-6(10)9-4-2-7(8)3-5-9;1-7(9)8-5-3-2-4-6-8;3-2(4,5)1(6)7;2-1-4-3;;;;;/h14-15,19H,6-13H2,1-5H3,(H,24,25);11-12,16H,3-10H2,1-2H3,(H,20,21)(H,27,28);9-10H,5-8H2,1-4H3;4-5H,1-3H3;7H,2-5,8H2,1H3;2-6H2,1H3;(H,6,7);1,3H;2*1H4;;;/q;;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid?

dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 2112.02 g/mol, XLogP of 4.46, 12 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxylate;tert-butyl 2-(4-acetylpiperazin-1-yl)-6-bromopyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;hydride;methane;oxido formate;1-piperidin-1-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162106077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).