4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one

C64H68BrN18O11+ — CID 159592421

About 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one

4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one (PubChem CID 159592421) has the molecular formula C64H68BrN18O11+ and a molecular weight of 1345.27 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one.

Molecular Properties

• Compound Name: 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one
• PubChem CID: 159592421
• Molecular Formula: C64H68BrN18O11+
• Molecular Weight: 1345.27 g/mol
• Exact Mass: 1343.45
• IUPAC Name: 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one
• SMILES: Cc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCNC(=O)C4)cn3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)O)cc2)ccn1.Nc1ccc(N2CCNC(=O)C2)cn1.O=C1CN(c2ccc([N+](=O)[O-])nc2)CCN1.O=C1C[NH+]=CCN1.O=[N+]([O-])c1ccc(Br)cn1
• InChI: InChI=1S/C23H23N5O2.C14H13NO2.C9H10N4O3.C9H12N4O.C5H3BrN2O2.C4H6N2O/c1-16-12-19(8-9-24-16)18-4-2-17(3-5-18)13-22(29)27-21-7-6-20(14-26-21)28-11-10-25-23(30)15-28;1-10-8-13(6-7-15-10)12-4-2-11(3-5-12)9-14(16)17;14-9-6-12(4-3-10-9)7-1-2-8(11-5-7)13(15)16;10-8-2-1-7(5-12-8)13-4-3-11-9(14)6-13;6-4-1-2-5(7-3-4)8(9)10;7-4-3-5-1-2-6-4/h2-9,12,14H,10-11,13,15H2,1H3,(H,25,30)(H,26,27,29);2-8H,9H2,1H3,(H,16,17);1-2,5H,3-4,6H2,(H,10,14);1-2,5H,3-4,6H2,(H2,10,12)(H,11,14);1-3H;1H,2-3H2,(H,6,7)/p+1
• InChIKey: RVACPQGYQVONQZ-UHFFFAOYSA-O
• XLogP: 3.80
• TPSA: 396.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1345.27
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one?

The IUPAC name of 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one (CID 159592421) is 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one.

What is the SMILES notation for 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one?

The canonical SMILES for 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one is Cc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCNC(=O)C4)cn3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)O)cc2)ccn1.Nc1ccc(N2CCNC(=O)C2)cn1.O=C1CN(c2ccc([N+](=O)[O-])nc2)CCN1.O=C1C[NH+]=CCN1.O=[N+]([O-])c1ccc(Br)cn1.

What is the InChIKey of 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one?

The InChIKey is RVACPQGYQVONQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H23N5O2.C14H13NO2.C9H10N4O3.C9H12N4O.C5H3BrN2O2.C4H6N2O/c1-16-12-19(8-9-24-16)18-4-2-17(3-5-18)13-22(29)27-21-7-6-20(14-26-21)28-11-10-25-23(30)15-28;1-10-8-13(6-7-15-10)12-4-2-11(3-5-12)9-14(16)17;14-9-6-12(4-3-10-9)7-1-2-8(11-5-7)13(15)16;10-8-2-1-7(5-12-8)13-4-3-11-9(14)6-13;6-4-1-2-5(7-3-4)8(9)10;7-4-3-5-1-2-6-4/h2-9,12,14H,10-11,13,15H2,1H3,(H,25,30)(H,26,27,29);2-8H,9H2,1H3,(H,16,17);1-2,5H,3-4,6H2,(H,10,14);1-2,5H,3-4,6H2,(H2,10,12)(H,11,14);1-3H;1H,2-3H2,(H,6,7)/p+1.

What are the key properties of 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one?

4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one has a molecular weight of 1345.27 g/mol, XLogP of 3.80, 12 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one is sourced from PubChem (CID 159592421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).