2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide

C93H79Cl4F3N18O9 — CID 158345111

About 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide

2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide (PubChem CID 158345111) has the molecular formula C93H79Cl4F3N18O9 and a molecular weight of 1791.58 g/mol. Its IUPAC name is 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide.

Molecular Properties

• Compound Name: 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
• PubChem CID: 158345111
• Molecular Formula: C93H79Cl4F3N18O9
• Molecular Weight: 1791.58 g/mol
• Exact Mass: 1788.50
• IUPAC Name: 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
• SMILES: C=C(C)c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1
• InChI: InChI=1S/C24H22ClN5O2.C23H17ClF3N5O3.C23H20ClN5O2.C23H20ClN3O2/c1-15-3-9-20(19(13-15)24(32)29-21-10-8-18(25)14-27-21)28-23(31)17-6-4-16(5-7-17)22(26)30-11-2-12-30;24-15-5-8-19(29-12-15)31-22(34)17-11-16(35-23(25,26)27)6-7-18(17)30-21(33)14-3-1-13(2-4-14)20(28)32-9-10-32;1-14-2-8-19(18(12-14)23(31)28-20-9-7-17(24)13-26-20)27-22(30)16-5-3-15(4-6-16)21(25)29-10-11-29;1-14(2)16-5-7-17(8-6-16)22(28)26-20-10-4-15(3)12-19(20)23(29)27-21-11-9-18(24)13-25-21/h3-10,13-14,26H,2,11-12H2,1H3,(H,28,31)(H,27,29,32);1-8,11-12,28H,9-10H2,(H,30,33)(H,29,31,34);2-9,12-13,25H,10-11H2,1H3,(H,27,30)(H,26,28,31);4-13H,1H2,2-3H3,(H,26,28)(H,25,27,29)/b26-22-;28-20-;25-21-
• InChIKey: GRQGNGQXLYETLJ-OYEBTFHTSA-N
• XLogP: 19.13
• TPSA: 374.40 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1791.58
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide?

The IUPAC name of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide (CID 158345111) is 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide.

What is the SMILES notation for 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide?

The canonical SMILES for 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide is C=C(C)c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1.

What is the InChIKey of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide?

The InChIKey is GRQGNGQXLYETLJ-OYEBTFHTSA-N. The full InChI is InChI=1S/C24H22ClN5O2.C23H17ClF3N5O3.C23H20ClN5O2.C23H20ClN3O2/c1-15-3-9-20(19(13-15)24(32)29-21-10-8-18(25)14-27-21)28-23(31)17-6-4-16(5-7-17)22(26)30-11-2-12-30;24-15-5-8-19(29-12-15)31-22(34)17-11-16(35-23(25,26)27)6-7-18(17)30-21(33)14-3-1-13(2-4-14)20(28)32-9-10-32;1-14-2-8-19(18(12-14)23(31)28-20-9-7-17(24)13-26-20)27-22(30)16-5-3-15(4-6-16)21(25)29-10-11-29;1-14(2)16-5-7-17(8-6-16)22(28)26-20-10-4-15(3)12-19(20)23(29)27-21-11-9-18(24)13-25-21/h3-10,13-14,26H,2,11-12H2,1H3,(H,28,31)(H,27,29,32);1-8,11-12,28H,9-10H2,(H,30,33)(H,29,31,34);2-9,12-13,25H,10-11H2,1H3,(H,27,30)(H,26,28,31);4-13H,1H2,2-3H3,(H,26,28)(H,25,27,29)/b26-22-;28-20-;25-21-;.

What are the key properties of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide?

2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide has a molecular weight of 1791.58 g/mol, XLogP of 19.13, 21 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide is sourced from PubChem (CID 158345111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).