2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide

C73H63Cl3F3N11O9 — CID 161019645

About 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide

2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide (PubChem CID 161019645) has the molecular formula C73H63Cl3F3N11O9 and a molecular weight of 1401.73 g/mol. Its IUPAC name is 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide.

Molecular Properties

• Compound Name: 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide
• PubChem CID: 161019645
• Molecular Formula: C73H63Cl3F3N11O9
• Molecular Weight: 1401.73 g/mol
• Exact Mass: 1399.38
• IUPAC Name: 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide
• SMILES: C/N=C(\C)c1ccc(C(=O)Cc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1
• InChI: InChI=1S/C25H23ClN4O3.C24H18ClF3N4O3.C24H22ClN3O3/c1-33-20-9-7-18(21(14-20)25(32)29-23-10-8-19(26)15-28-23)13-22(31)16-3-5-17(6-4-16)24(27)30-11-2-12-30;25-17-6-8-21(30-13-17)31-23(34)19-12-18(35-24(26,27)28)7-5-16(19)11-20(33)14-1-3-15(4-2-14)22(29)32-9-10-32;1-15(26-2)16-4-6-17(7-5-16)22(29)12-18-8-10-20(31-3)13-21(18)24(30)28-23-11-9-19(25)14-27-23/h3-10,14-15,27H,2,11-13H2,1H3,(H,28,29,32);1-8,12-13,29H,9-11H2,(H,30,31,34);4-11,13-14H,12H2,1-3H3,(H,27,28,30)/b27-24-;29-22-;26-15+
• InChIKey: TYESSFQCBNGZHR-HGVUWPJJSA-N
• XLogP: 14.26
• TPSA: 271.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1401.73
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

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-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide?

The IUPAC name of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide (CID 161019645) is 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide.

What is the SMILES notation for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide?

The canonical SMILES for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide is C/N=C(\C)c1ccc(C(=O)Cc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.

What is the InChIKey of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide?

The InChIKey is TYESSFQCBNGZHR-HGVUWPJJSA-N. The full InChI is InChI=1S/C25H23ClN4O3.C24H18ClF3N4O3.C24H22ClN3O3/c1-33-20-9-7-18(21(14-20)25(32)29-23-10-8-19(26)15-28-23)13-22(31)16-3-5-17(6-4-16)24(27)30-11-2-12-30;25-17-6-8-21(30-13-17)31-23(34)19-12-18(35-24(26,27)28)7-5-16(19)11-20(33)14-1-3-15(4-2-14)22(29)32-9-10-32;1-15(26-2)16-4-6-17(7-5-16)22(29)12-18-8-10-20(31-3)13-21(18)24(30)28-23-11-9-19(25)14-27-23/h3-10,14-15,27H,2,11-13H2,1H3,(H,28,29,32);1-8,12-13,29H,9-11H2,(H,30,31,34);4-11,13-14H,12H2,1-3H3,(H,27,28,30)/b27-24-;29-22-;26-15+.

What are the key properties of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide?

2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide has a molecular weight of 1401.73 g/mol, XLogP of 14.26, 21 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-methoxybenzamide is sourced from PubChem (CID 161019645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).