N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

C95H85Br4N15O9 — CID 158824571

About N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 158824571) has the molecular formula C95H85Br4N15O9 and a molecular weight of 1900.44 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
• PubChem CID: 158824571
• Molecular Formula: C95H85Br4N15O9
• Molecular Weight: 1900.44 g/mol
• Exact Mass: 1895.34
• IUPAC Name: N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
• SMILES: C/N=C(\N)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCOCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1
• InChI: InChI=1S/C26H25BrN4O2.C25H23BrN4O3.C22H19BrN4O2.C22H18BrN3O2/c27-21-12-13-24(29-17-21)30-26(33)22-7-3-2-6-20(22)16-23(32)18-8-10-19(11-9-18)25(28)31-14-4-1-5-15-31;26-20-9-10-23(28-16-20)29-25(32)21-4-2-1-3-19(21)15-22(31)17-5-7-18(8-6-17)24(27)30-11-13-33-14-12-30;1-25-21(24)15-8-6-14(7-9-15)19(28)12-16-4-2-3-5-18(16)22(29)27-20-11-10-17(23)13-26-20;1-14(24)15-6-8-16(9-7-15)20(27)12-17-4-2-3-5-19(17)22(28)26-21-11-10-18(23)13-25-21/h2-3,6-13,17,28H,1,4-5,14-16H2,(H,29,30,33);1-10,16,27H,11-15H2,(H,28,29,32);2-11,13H,12H2,1H3,(H2,24,25)(H,26,27,29);2-11,13,24H,12H2,1H3,(H,25,26,28)/b28-25-;27-24-;;24-14+
• InChIKey: IWHJRQPIIXRITR-HSAQSYSGSA-N
• XLogP: 18.28
• TPSA: 361.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1900.44
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 158824571) is N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is C/N=C(\N)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCOCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The InChIKey is IWHJRQPIIXRITR-HSAQSYSGSA-N. The full InChI is InChI=1S/C26H25BrN4O2.C25H23BrN4O3.C22H19BrN4O2.C22H18BrN3O2/c27-21-12-13-24(29-17-21)30-26(33)22-7-3-2-6-20(22)16-23(32)18-8-10-19(11-9-18)25(28)31-14-4-1-5-15-31;26-20-9-10-23(28-16-20)29-25(32)21-4-2-1-3-19(21)15-22(31)17-5-7-18(8-6-17)24(27)30-11-13-33-14-12-30;1-25-21(24)15-8-6-14(7-9-15)19(28)12-16-4-2-3-5-18(16)22(29)27-20-11-10-17(23)13-26-20;1-14(24)15-6-8-16(9-7-15)20(27)12-17-4-2-3-5-19(17)22(28)26-21-11-10-18(23)13-25-21/h2-3,6-13,17,28H,1,4-5,14-16H2,(H,29,30,33);1-10,16,27H,11-15H2,(H,28,29,32);2-11,13H,12H2,1H3,(H2,24,25)(H,26,27,29);2-11,13,24H,12H2,1H3,(H,25,26,28)/b28-25-;27-24-;;24-14+.

What are the key properties of N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 1900.44 g/mol, XLogP of 18.28, 24 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 158824571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).