2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide

C101H98Br4N20O8S — CID 157324255

About 2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide

2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 157324255) has the molecular formula C101H98Br4N20O8S and a molecular weight of 2071.71 g/mol. Its IUPAC name is 2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

• Compound Name: 2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide
• PubChem CID: 157324255
• Molecular Formula: C101H98Br4N20O8S
• Molecular Weight: 2071.71 g/mol
• Exact Mass: 2066.43
• IUPAC Name: 2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide
• SMILES: [H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1C.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCSCC1.[H]/N=C(\c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCCCC1
• InChI: InChI=1S/C27H28BrN5O2.2C25H24BrN5O2.C24H22BrN5O2S/c28-21-14-15-24(30-18-21)32-27(35)22-8-4-5-9-23(22)31-26(34)20-12-10-19(11-13-20)25(29)33-16-6-2-1-3-7-17-33;1-16-5-4-14-31(16)23(27)17-8-10-18(11-9-17)24(32)29-21-7-3-2-6-20(21)25(33)30-22-13-12-19(26)15-28-22;26-19-12-13-22(28-16-19)30-25(33)20-6-2-3-7-21(20)29-24(32)18-10-8-17(9-11-18)23(27)31-14-4-1-5-15-31;25-18-9-10-21(27-15-18)29-24(32)19-3-1-2-4-20(19)28-23(31)17-7-5-16(6-8-17)22(26)30-11-13-33-14-12-30/h4-5,8-15,18,29H,1-3,6-7,16-17H2,(H,31,34)(H,30,32,35);2-3,6-13,15-16,27H,4-5,14H2,1H3,(H,29,32)(H,28,30,33);2-3,6-13,16,27H,1,4-5,14-15H2,(H,29,32)(H,28,30,33);1-10,15,26H,11-14H2,(H,28,31)(H,27,29,32)/b29-25+;2*27-23-;26-22-
• InChIKey: BENHLJUCYJBJAK-SAXHFKDWSA-N
• XLogP: 20.98
• TPSA: 392.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2071.71
LogP ≤ 5	20.98
H-Bond Donors ≤ 5	12
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-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide?

The IUPAC name of 2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide (CID 157324255) is 2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide.

What is the SMILES notation for 2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide?

The canonical SMILES for 2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1C.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCSCC1.[H]/N=C(\c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCCCC1.

What is the InChIKey of 2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide?

The InChIKey is BENHLJUCYJBJAK-SAXHFKDWSA-N. The full InChI is InChI=1S/C27H28BrN5O2.2C25H24BrN5O2.C24H22BrN5O2S/c28-21-14-15-24(30-18-21)32-27(35)22-8-4-5-9-23(22)31-26(34)20-12-10-19(11-13-20)25(29)33-16-6-2-1-3-7-17-33;1-16-5-4-14-31(16)23(27)17-8-10-18(11-9-17)24(32)29-21-7-3-2-6-20(21)25(33)30-22-13-12-19(26)15-28-22;26-19-12-13-22(28-16-19)30-25(33)20-6-2-3-7-21(20)29-24(32)18-10-8-17(9-11-18)23(27)31-14-4-1-5-15-31;25-18-9-10-21(27-15-18)29-24(32)19-3-1-2-4-20(19)28-23(31)17-7-5-16(6-8-17)22(26)30-11-13-33-14-12-30/h4-5,8-15,18,29H,1-3,6-7,16-17H2,(H,31,34)(H,30,32,35);2-3,6-13,15-16,27H,4-5,14H2,1H3,(H,29,32)(H,28,30,33);2-3,6-13,16,27H,1,4-5,14-15H2,(H,29,32)(H,28,30,33);1-10,15,26H,11-14H2,(H,28,31)(H,27,29,32)/b29-25+;2*27-23-;26-22-.

What are the key properties of 2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide?

2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 2071.71 g/mol, XLogP of 20.98, 20 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 157324255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).