N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide

C96H86Br4F6N20O8 — CID 160669517

About N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide

N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide (PubChem CID 160669517) has the molecular formula C96H86Br4F6N20O8 and a molecular weight of 2081.48 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide
• PubChem CID: 160669517
• Molecular Formula: C96H86Br4F6N20O8
• Molecular Weight: 2081.48 g/mol
• Exact Mass: 2076.36
• IUPAC Name: N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide
• SMILES: CN1CCN=C1c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2C(=O)Nc2ccc(Br)cn2)cc1.Cc1cc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Br)cn2)cc1C.[H]/N=C(/c1ccc(C(=O)Nc2cc(C)c(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N(C)C
• InChI: InChI=1S/C25H24BrN5O2.C24H19BrF3N5O2.C24H24BrN5O2.C23H19BrF3N5O2/c1-15-12-20(25(33)30-22-9-8-19(26)14-28-22)21(13-16(15)2)29-24(32)18-6-4-17(5-7-18)23-27-10-11-31(23)3;1-33-11-10-29-21(33)14-2-4-15(5-3-14)22(34)31-19-8-6-16(24(26,27)28)12-18(19)23(35)32-20-9-7-17(25)13-30-20;1-14-11-19(24(32)29-21-10-9-18(25)13-27-21)20(12-15(14)2)28-23(31)17-7-5-16(6-8-17)22(26)30(3)4;1-32(2)20(28)13-3-5-14(6-4-13)21(33)30-18-9-7-15(23(25,26)27)11-17(18)22(34)31-19-10-8-16(24)12-29-19/h4-9,12-14H,10-11H2,1-3H3,(H,29,32)(H,28,30,33);2-9,12-13H,10-11H2,1H3,(H,31,34)(H,30,32,35);5-13,26H,1-4H3,(H,28,31)(H,27,29,32);3-12,28H,1-2H3,(H,30,33)(H,29,31,34)/b;;26-22-;28-20-
• InChIKey: RMTAAMVHRAMEMK-OXXZCXQFSA-N
• XLogP: 19.82
• TPSA: 369.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2081.48
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

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-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide (CID 160669517) is N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide is CN1CCN=C1c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2C(=O)Nc2ccc(Br)cn2)cc1.Cc1cc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Br)cn2)cc1C.[H]/N=C(/c1ccc(C(=O)Nc2cc(C)c(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N(C)C.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide?

The InChIKey is RMTAAMVHRAMEMK-OXXZCXQFSA-N. The full InChI is InChI=1S/C25H24BrN5O2.C24H19BrF3N5O2.C24H24BrN5O2.C23H19BrF3N5O2/c1-15-12-20(25(33)30-22-9-8-19(26)14-28-22)21(13-16(15)2)29-24(32)18-6-4-17(5-7-18)23-27-10-11-31(23)3;1-33-11-10-29-21(33)14-2-4-15(5-3-14)22(34)31-19-8-6-16(24(26,27)28)12-18(19)23(35)32-20-9-7-17(25)13-30-20;1-14-11-19(24(32)29-21-10-9-18(25)13-27-21)20(12-15(14)2)28-23(31)17-7-5-16(6-8-17)22(26)30(3)4;1-32(2)20(28)13-3-5-14(6-4-13)21(33)30-18-9-7-15(23(25,26)27)11-17(18)22(34)31-19-10-8-16(24)12-29-19/h4-9,12-14H,10-11H2,1-3H3,(H,29,32)(H,28,30,33);2-9,12-13H,10-11H2,1H3,(H,31,34)(H,30,32,35);5-13,26H,1-4H3,(H,28,31)(H,27,29,32);3-12,28H,1-2H3,(H,30,33)(H,29,31,34)/b;;26-22-;28-20-.

What are the key properties of N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide?

N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide has a molecular weight of 2081.48 g/mol, XLogP of 19.82, 20 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 160669517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).