2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide

C93H89Cl4N15O5 — CID 159071551

About 2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide

2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 159071551) has the molecular formula C93H89Cl4N15O5 and a molecular weight of 1638.65 g/mol. Its IUPAC name is 2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
• PubChem CID: 159071551
• Molecular Formula: C93H89Cl4N15O5
• Molecular Weight: 1638.65 g/mol
• Exact Mass: 1635.59
• IUPAC Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
• SMILES: [H]/N=C(/c1ccc(CCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(CCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1.[H]/N=C(\C)c1ccc(CCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\N)c1ccc(CCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
• InChI: InChI=1S/C25H25ClN4O2.C25H25ClN4O.C22H20ClN3O.C21H19ClN4O/c26-21-11-12-23(28-17-21)29-25(31)22-4-2-1-3-19(22)8-5-18-6-9-20(10-7-18)24(27)30-13-15-32-16-14-30;26-21-13-14-23(28-17-21)29-25(31)22-6-2-1-5-19(22)10-7-18-8-11-20(12-9-18)24(27)30-15-3-4-16-30;1-15(24)17-9-6-16(7-10-17)8-11-18-4-2-3-5-20(18)22(27)26-21-13-12-19(23)14-25-21;22-17-11-12-19(25-13-17)26-21(27)18-4-2-1-3-15(18)8-5-14-6-9-16(10-7-14)20(23)24/h1-4,6-7,9-12,17,27H,5,8,13-16H2,(H,28,29,31);1-2,5-6,8-9,11-14,17,27H,3-4,7,10,15-16H2,(H,28,29,31);2-7,9-10,12-14,24H,8,11H2,1H3,(H,25,26,27);1-4,6-7,9-13H,5,8H2,(H3,23,24)(H,25,26,27)/b2*27-24-;24-15+
• InChIKey: JZSCZUMJTQTANE-BRRDURRKSA-N
• XLogP: 18.84
• TPSA: 305.09 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 24
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1638.65
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

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-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The IUPAC name of 2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 159071551) is 2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide.

What is the SMILES notation for 2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The canonical SMILES for 2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide is [H]/N=C(/c1ccc(CCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(CCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1.[H]/N=C(\C)c1ccc(CCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\N)c1ccc(CCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.

What is the InChIKey of 2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The InChIKey is JZSCZUMJTQTANE-BRRDURRKSA-N. The full InChI is InChI=1S/C25H25ClN4O2.C25H25ClN4O.C22H20ClN3O.C21H19ClN4O/c26-21-11-12-23(28-17-21)29-25(31)22-4-2-1-3-19(22)8-5-18-6-9-20(10-7-18)24(27)30-13-15-32-16-14-30;26-21-13-14-23(28-17-21)29-25(31)22-6-2-1-5-19(22)10-7-18-8-11-20(12-9-18)24(27)30-15-3-4-16-30;1-15(24)17-9-6-16(7-10-17)8-11-18-4-2-3-5-20(18)22(27)26-21-13-12-19(23)14-25-21;22-17-11-12-19(25-13-17)26-21(27)18-4-2-1-3-15(18)8-5-14-6-9-16(10-7-14)20(23)24/h1-4,6-7,9-12,17,27H,5,8,13-16H2,(H,28,29,31);1-2,5-6,8-9,11-14,17,27H,3-4,7,10,15-16H2,(H,28,29,31);2-7,9-10,12-14,24H,8,11H2,1H3,(H,25,26,27);1-4,6-7,9-13H,5,8H2,(H3,23,24)(H,25,26,27)/b2*27-24-;24-15+;.

What are the key properties of 2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 1638.65 g/mol, XLogP of 18.84, 24 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 159071551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).