2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

C100H101Cl4N15O8 — CID 157421158

About 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 157421158) has the molecular formula C100H101Cl4N15O8 and a molecular weight of 1782.82 g/mol. Its IUPAC name is 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
• PubChem CID: 157421158
• Molecular Formula: C100H101Cl4N15O8
• Molecular Weight: 1782.82 g/mol
• Exact Mass: 1779.67
• IUPAC Name: 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
• SMILES: COc1ccc(CCc2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.[H]/N=C(/c1ccc(CCc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(CCc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(\C)c1ccc(CCc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1
• InChI: InChI=1S/C27H29ClN4O2.2C25H25ClN4O2.C23H22ClN3O2/c1-34-23-13-11-20(24(17-23)27(33)31-25-14-12-22(28)18-30-25)8-5-19-6-9-21(10-7-19)26(29)32-15-3-2-4-16-32;1-30-14-13-27-24(30)19-7-4-17(5-8-19)3-6-18-9-11-21(32-2)15-22(18)25(31)29-23-12-10-20(26)16-28-23;1-32-21-11-9-18(22(15-21)25(31)29-23-12-10-20(26)16-28-23)6-3-17-4-7-19(8-5-17)24(27)30-13-2-14-30;1-15(25)17-6-3-16(4-7-17)5-8-18-9-11-20(29-2)13-21(18)23(28)27-22-12-10-19(24)14-26-22/h6-7,9-14,17-18,29H,2-5,8,15-16H2,1H3,(H,30,31,33);4-5,7-12,15-16H,3,6,13-14H2,1-2H3,(H,28,29,31);4-5,7-12,15-16,27H,2-3,6,13-14H2,1H3,(H,28,29,31);3-4,6-7,9-14,25H,5,8H2,1-2H3,(H,26,27,28)/b29-26-;;27-24-;25-15+
• InChIKey: BPKOGQZANAMVCI-GALUVSHQSA-N
• XLogP: 20.05
• TPSA: 298.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1782.82
LogP ≤ 5	20.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

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 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The IUPAC name of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 157421158) is 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.

What is the SMILES notation for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The canonical SMILES for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is COc1ccc(CCc2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.[H]/N=C(/c1ccc(CCc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(CCc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(\C)c1ccc(CCc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1.

What is the InChIKey of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The InChIKey is BPKOGQZANAMVCI-GALUVSHQSA-N. The full InChI is InChI=1S/C27H29ClN4O2.2C25H25ClN4O2.C23H22ClN3O2/c1-34-23-13-11-20(24(17-23)27(33)31-25-14-12-22(28)18-30-25)8-5-19-6-9-21(10-7-19)26(29)32-15-3-2-4-16-32;1-30-14-13-27-24(30)19-7-4-17(5-8-19)3-6-18-9-11-21(32-2)15-22(18)25(31)29-23-12-10-20(26)16-28-23;1-32-21-11-9-18(22(15-21)25(31)29-23-12-10-20(26)16-28-23)6-3-17-4-7-19(8-5-17)24(27)30-13-2-14-30;1-15(25)17-6-3-16(4-7-17)5-8-18-9-11-20(29-2)13-21(18)23(28)27-22-12-10-19(24)14-26-22/h6-7,9-14,17-18,29H,2-5,8,15-16H2,1H3,(H,30,31,33);4-5,7-12,15-16H,3,6,13-14H2,1-2H3,(H,28,29,31);4-5,7-12,15-16,27H,2-3,6,13-14H2,1H3,(H,28,29,31);3-4,6-7,9-14,25H,5,8H2,1-2H3,(H,26,27,28)/b29-26-;;27-24-;25-15+.

What are the key properties of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 1782.82 g/mol, XLogP of 20.05, 28 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 157421158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).