(E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)

C124H133Br5N28O13 — CID 159289778

About (E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)

(E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene) (PubChem CID 159289778) has the molecular formula C124H133Br5N28O13 and a molecular weight of 2623.13 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene).

Molecular Properties

• Compound Name: (E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)
• PubChem CID: 159289778
• Molecular Formula: C124H133Br5N28O13
• Molecular Weight: 2623.13 g/mol
• Exact Mass: 2616.65
• IUPAC Name: (E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)
• SMILES: Brc1ccc(Br)nc1.C=C1OC(=O)Nc2ccccc21.C=CC.C=CC.NCCN.NCCNc1ccc(Br)cn1.Nc1ccccc1NC(=O)/C=C/c1ccc(NCCN2C(=O)CN(Cc3ccccc3)CC2=O)nc1.Nc1ccccc1NC(=O)/C=C/c1ccc(NCCn2cnc3ccccc3c2=O)nc1.O=C1CN(Cc2ccccc2)CC(=O)N1CCNc1ccc(Br)cn1.O=C1CN(Cc2ccccc2)CC(=O)O1.O=c1c2ccccc2ncn1CCNc1ccc(Br)cn1
• InChI: InChI=1S/C27H28N6O3.C24H22N6O2.C18H19BrN4O2.C15H13BrN4O.C11H11NO3.C9H7NO2.C7H10BrN3.C5H3Br2N.2C3H6.C2H8N2/c28-22-8-4-5-9-23(22)31-25(34)13-11-20-10-12-24(30-16-20)29-14-15-33-26(35)18-32(19-27(33)36)17-21-6-2-1-3-7-21;25-19-6-2-4-8-21(19)29-23(31)12-10-17-9-11-22(27-15-17)26-13-14-30-16-28-20-7-3-1-5-18(20)24(30)32;19-15-6-7-16(21-10-15)20-8-9-23-17(24)12-22(13-18(23)25)11-14-4-2-1-3-5-14;16-11-5-6-14(18-9-11)17-7-8-20-10-19-13-4-2-1-3-12(13)15(20)21;13-10-7-12(8-11(14)15-10)6-9-4-2-1-3-5-9;1-6-7-4-2-3-5-8(7)10-9(11)12-6;8-6-1-2-7(11-5-6)10-4-3-9;6-4-1-2-5(7)8-3-4;2*1-3-2;3-1-2-4/h1-13,16H,14-15,17-19,28H2,(H,29,30)(H,31,34);1-12,15-16H,13-14,25H2,(H,26,27)(H,29,31);1-7,10H,8-9,11-13H2,(H,20,21);1-6,9-10H,7-8H2,(H,17,18);1-5H,6-8H2;2-5H,1H2,(H,10,11);1-2,5H,3-4,9H2,(H,10,11);1-3H;2*3H,1H2,2H3;1-4H2/b13-11+;12-10+
• InChIKey: KZYUBJCILJYTGM-YXRNXLTBSA-N
• XLogP: 18.43
• TPSA: 561.75 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2623.13
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)?

The IUPAC name of (E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene) (CID 159289778) is (E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene).

What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)?

The canonical SMILES for (E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene) is Brc1ccc(Br)nc1.C=C1OC(=O)Nc2ccccc21.C=CC.C=CC.NCCN.NCCNc1ccc(Br)cn1.Nc1ccccc1NC(=O)/C=C/c1ccc(NCCN2C(=O)CN(Cc3ccccc3)CC2=O)nc1.Nc1ccccc1NC(=O)/C=C/c1ccc(NCCn2cnc3ccccc3c2=O)nc1.O=C1CN(Cc2ccccc2)CC(=O)N1CCNc1ccc(Br)cn1.O=C1CN(Cc2ccccc2)CC(=O)O1.O=c1c2ccccc2ncn1CCNc1ccc(Br)cn1.

What is the InChIKey of (E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)?

The InChIKey is KZYUBJCILJYTGM-YXRNXLTBSA-N. The full InChI is InChI=1S/C27H28N6O3.C24H22N6O2.C18H19BrN4O2.C15H13BrN4O.C11H11NO3.C9H7NO2.C7H10BrN3.C5H3Br2N.2C3H6.C2H8N2/c28-22-8-4-5-9-23(22)31-25(34)13-11-20-10-12-24(30-16-20)29-14-15-33-26(35)18-32(19-27(33)36)17-21-6-2-1-3-7-21;25-19-6-2-4-8-21(19)29-23(31)12-10-17-9-11-22(27-15-17)26-13-14-30-16-28-20-7-3-1-5-18(20)24(30)32;19-15-6-7-16(21-10-15)20-8-9-23-17(24)12-22(13-18(23)25)11-14-4-2-1-3-5-14;16-11-5-6-14(18-9-11)17-7-8-20-10-19-13-4-2-1-3-12(13)15(20)21;13-10-7-12(8-11(14)15-10)6-9-4-2-1-3-5-9;1-6-7-4-2-3-5-8(7)10-9(11)12-6;8-6-1-2-7(11-5-6)10-4-3-9;6-4-1-2-5(7)8-3-4;2*1-3-2;3-1-2-4/h1-13,16H,14-15,17-19,28H2,(H,29,30)(H,31,34);1-12,15-16H,13-14,25H2,(H,26,27)(H,29,31);1-7,10H,8-9,11-13H2,(H,20,21);1-6,9-10H,7-8H2,(H,17,18);1-5H,6-8H2;2-5H,1H2,(H,10,11);1-2,5H,3-4,9H2,(H,10,11);1-3H;2*3H,1H2,2H3;1-4H2/b13-11+;12-10+;;;;;;;;;.

What are the key properties of (E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)?

(E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene) has a molecular weight of 2623.13 g/mol, XLogP of 18.43, 32 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene) is sourced from PubChem (CID 159289778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).