2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide

C105H102Br4N16O8S — CID 157499113

About 2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide

2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 157499113) has the molecular formula C105H102Br4N16O8S and a molecular weight of 2067.76 g/mol. Its IUPAC name is 2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide
• PubChem CID: 157499113
• Molecular Formula: C105H102Br4N16O8S
• Molecular Weight: 2067.76 g/mol
• Exact Mass: 2062.45
• IUPAC Name: 2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide
• SMILES: [H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1C.[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)N1CCSCC1.[H]/N=C(\c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCCCC1
• InChI: InChI=1S/C28H29BrN4O2.2C26H25BrN4O2.C25H23BrN4O2S/c29-23-14-15-26(31-19-23)32-28(35)24-9-5-4-8-22(24)18-25(34)20-10-12-21(13-11-20)27(30)33-16-6-2-1-3-7-17-33;1-17-5-4-14-31(17)25(28)19-10-8-18(9-11-19)23(32)15-20-6-2-3-7-22(20)26(33)30-24-13-12-21(27)16-29-24;27-21-12-13-24(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/h4-5,8-15,19,30H,1-3,6-7,16-18H2,(H,31,32,35);2-3,6-13,16-17,28H,4-5,14-15H2,1H3,(H,29,30,33);2-3,6-13,17,28H,1,4-5,14-16H2,(H,29,30,33);1-10,16,27H,11-15H2,(H,28,29,32)/b30-27+;2*28-25-;27-24-
• InChIKey: BYEPUQZFKWEHFY-IFBNUMCOSA-N
• XLogP: 21.67
• TPSA: 344.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2067.76
LogP ≤ 5	21.67
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 2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide?

The IUPAC name of 2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide (CID 157499113) is 2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide.

What is the SMILES notation for 2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide?

The canonical SMILES for 2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide is [H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1C.[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)N1CCSCC1.[H]/N=C(\c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCCCC1.

What is the InChIKey of 2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide?

The InChIKey is BYEPUQZFKWEHFY-IFBNUMCOSA-N. The full InChI is InChI=1S/C28H29BrN4O2.2C26H25BrN4O2.C25H23BrN4O2S/c29-23-14-15-26(31-19-23)32-28(35)24-9-5-4-8-22(24)18-25(34)20-10-12-21(13-11-20)27(30)33-16-6-2-1-3-7-17-33;1-17-5-4-14-31(17)25(28)19-10-8-18(9-11-19)23(32)15-20-6-2-3-7-22(20)26(33)30-24-13-12-21(27)16-29-24;27-21-12-13-24(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/h4-5,8-15,19,30H,1-3,6-7,16-18H2,(H,31,32,35);2-3,6-13,16-17,28H,4-5,14-15H2,1H3,(H,29,30,33);2-3,6-13,17,28H,1,4-5,14-16H2,(H,29,30,33);1-10,16,27H,11-15H2,(H,28,29,32)/b30-27+;2*28-25-;27-24-.

What are the key properties of 2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide?

2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 2067.76 g/mol, XLogP of 21.67, 24 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 157499113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).