N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

C80H79Br2ClN12O6 — CID 158907677

About N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 158907677) has the molecular formula C80H79Br2ClN12O6 and a molecular weight of 1499.85 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
• PubChem CID: 158907677
• Molecular Formula: C80H79Br2ClN12O6
• Molecular Weight: 1499.85 g/mol
• Exact Mass: 1496.43
• IUPAC Name: N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
• SMILES: [H]/N=C(/c1ccc(C(=O)Cc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
• InChI: InChI=1S/C27H27BrN4O2.C27H27ClN4O2.C26H25BrN4O2/c2*1-18-5-6-21(23(15-18)27(34)31-25-12-11-22(28)17-30-25)16-24(33)19-7-9-20(10-8-19)26(29)32-13-3-2-4-14-32;1-17-4-5-20(22(14-17)26(33)30-24-11-10-21(27)16-29-24)15-23(32)18-6-8-19(9-7-18)25(28)31-12-2-3-13-31/h2*5-12,15,17,29H,2-4,13-14,16H2,1H3,(H,30,31,34);4-11,14,16,28H,2-3,12-13,15H2,1H3,(H,29,30,33)/b2*29-26-;28-25-
• InChIKey: JGGDUIPCLFENHC-ZLNODVKGSA-N
• XLogP: 16.43
• TPSA: 258.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1499.85
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

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)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 158907677) is N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is [H]/N=C(/c1ccc(C(=O)Cc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The InChIKey is JGGDUIPCLFENHC-ZLNODVKGSA-N. The full InChI is InChI=1S/C27H27BrN4O2.C27H27ClN4O2.C26H25BrN4O2/c2*1-18-5-6-21(23(15-18)27(34)31-25-12-11-22(28)17-30-25)16-24(33)19-7-9-20(10-8-19)26(29)32-13-3-2-4-14-32;1-17-4-5-20(22(14-17)26(33)30-24-11-10-21(27)16-29-24)15-23(32)18-6-8-19(9-7-18)25(28)31-12-2-3-13-31/h2*5-12,15,17,29H,2-4,13-14,16H2,1H3,(H,30,31,34);4-11,14,16,28H,2-3,12-13,15H2,1H3,(H,29,30,33)/b2*29-26-;28-25-.

What are the key properties of N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 1499.85 g/mol, XLogP of 16.43, 18 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 158907677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).