N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide

C102H98Br2Cl4N20O8 — CID 91270563

About N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide

N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 91270563) has the molecular formula C102H98Br2Cl4N20O8 and a molecular weight of 2033.66 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
• PubChem CID: 91270563
• Molecular Formula: C102H98Br2Cl4N20O8
• Molecular Weight: 2033.66 g/mol
• Exact Mass: 2028.50
• IUPAC Name: N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
• SMILES: [H]/N=C(/c1ccc(C(=O)Nc2c(Cl)cc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(Cl)cc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1
• InChI: InChI=1S/C26H26BrN5O2.C26H25Cl2N5O2.C25H24BrN5O2.C25H23Cl2N5O2/c1-17-5-11-22(21(15-17)26(34)31-23-12-10-20(27)16-29-23)30-25(33)19-8-6-18(7-9-19)24(28)32-13-3-2-4-14-32;1-16-13-20(26(35)31-22-10-9-19(27)15-30-22)23(21(28)14-16)32-25(34)18-7-5-17(6-8-18)24(29)33-11-3-2-4-12-33;1-16-4-10-21(20(14-16)25(33)30-22-11-9-19(26)15-28-22)29-24(32)18-7-5-17(6-8-18)23(27)31-12-2-3-13-31;1-15-12-19(25(34)30-21-9-8-18(26)14-29-21)22(20(27)13-15)31-24(33)17-6-4-16(5-7-17)23(28)32-10-2-3-11-32/h5-12,15-16,28H,2-4,13-14H2,1H3,(H,30,33)(H,29,31,34);5-10,13-15,29H,2-4,11-12H2,1H3,(H,32,34)(H,30,31,35);4-11,14-15,27H,2-3,12-13H2,1H3,(H,29,32)(H,28,30,33);4-9,12-14,28H,2-3,10-11H2,1H3,(H,31,33)(H,29,30,34)/b28-24-;29-24-;27-23-;28-23-
• InChIKey: QFYHILZGIUHWHT-DLHDYJBTSA-N
• XLogP: 22.18
• TPSA: 392.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2033.66
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	16

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-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide (CID 91270563) is N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide is [H]/N=C(/c1ccc(C(=O)Nc2c(Cl)cc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(Cl)cc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide?

The InChIKey is QFYHILZGIUHWHT-DLHDYJBTSA-N. The full InChI is InChI=1S/C26H26BrN5O2.C26H25Cl2N5O2.C25H24BrN5O2.C25H23Cl2N5O2/c1-17-5-11-22(21(15-17)26(34)31-23-12-10-20(27)16-29-23)30-25(33)19-8-6-18(7-9-19)24(28)32-13-3-2-4-14-32;1-16-13-20(26(35)31-22-10-9-19(27)15-30-22)23(21(28)14-16)32-25(34)18-7-5-17(6-8-18)24(29)33-11-3-2-4-12-33;1-16-4-10-21(20(14-16)25(33)30-22-11-9-19(26)15-28-22)29-24(32)18-7-5-17(6-8-18)23(27)31-12-2-3-13-31;1-15-12-19(25(34)30-21-9-8-18(26)14-29-21)22(20(27)13-15)31-24(33)17-6-4-16(5-7-17)23(28)32-10-2-3-11-32/h5-12,15-16,28H,2-4,13-14H2,1H3,(H,30,33)(H,29,31,34);5-10,13-15,29H,2-4,11-12H2,1H3,(H,32,34)(H,30,31,35);4-11,14-15,27H,2-3,12-13H2,1H3,(H,29,32)(H,28,30,33);4-9,12-14,28H,2-3,10-11H2,1H3,(H,31,33)(H,29,30,34)/b28-24-;29-24-;27-23-;28-23-.

What are the key properties of N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide?

N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 2033.66 g/mol, XLogP of 22.18, 20 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 91270563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).