2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide

C98H91Cl4N15O12 — CID 158622285

About 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide

2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 158622285) has the molecular formula C98H91Cl4N15O12 and a molecular weight of 1812.71 g/mol. Its IUPAC name is 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
• PubChem CID: 158622285
• Molecular Formula: C98H91Cl4N15O12
• Molecular Weight: 1812.71 g/mol
• Exact Mass: 1809.57
• IUPAC Name: 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
• SMILES: [H]/N=C(/c1ccc(C(=O)Cc2c(OC)cccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC)cccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\N)c1ccc(C(=O)Cc2c(OC)cccc2C(=O)Nc2ccc(Cl)cn2)cc1
• InChI: InChI=1S/C27H27ClN4O3.C26H25ClN4O3.C23H20ClN3O3.C22H19ClN4O3/c1-35-24-7-5-6-21(27(34)31-25-13-12-20(28)17-30-25)22(24)16-23(33)18-8-10-19(11-9-18)26(29)32-14-3-2-4-15-32;1-34-23-6-4-5-20(26(33)30-24-12-11-19(27)16-29-24)21(23)15-22(32)17-7-9-18(10-8-17)25(28)31-13-2-3-14-31;1-14(25)15-6-8-16(9-7-15)20(28)12-19-18(4-3-5-21(19)30-2)23(29)27-22-11-10-17(24)13-26-22;1-30-19-4-2-3-16(22(29)27-20-10-9-15(23)12-26-20)17(19)11-18(28)13-5-7-14(8-6-13)21(24)25/h5-13,17,29H,2-4,14-16H2,1H3,(H,30,31,34);4-12,16,28H,2-3,13-15H2,1H3,(H,29,30,33);3-11,13,25H,12H2,1-2H3,(H,26,27,29);2-10,12H,11H2,1H3,(H3,24,25)(H,26,27,29)/b29-26-;28-25-;25-14+
• InChIKey: HYDPYEDZWWWLJR-LPZZIJJDSA-N
• XLogP: 18.59
• TPSA: 401.06 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1812.71
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

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)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The IUPAC name of 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 158622285) is 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide.

What is the SMILES notation for 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The canonical SMILES for 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide is [H]/N=C(/c1ccc(C(=O)Cc2c(OC)cccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC)cccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\N)c1ccc(C(=O)Cc2c(OC)cccc2C(=O)Nc2ccc(Cl)cn2)cc1.

What is the InChIKey of 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The InChIKey is HYDPYEDZWWWLJR-LPZZIJJDSA-N. The full InChI is InChI=1S/C27H27ClN4O3.C26H25ClN4O3.C23H20ClN3O3.C22H19ClN4O3/c1-35-24-7-5-6-21(27(34)31-25-13-12-20(28)17-30-25)22(24)16-23(33)18-8-10-19(11-9-18)26(29)32-14-3-2-4-15-32;1-34-23-6-4-5-20(26(33)30-24-12-11-19(27)16-29-24)21(23)15-22(32)17-7-9-18(10-8-17)25(28)31-13-2-3-14-31;1-14(25)15-6-8-16(9-7-15)20(28)12-19-18(4-3-5-21(19)30-2)23(29)27-22-11-10-17(24)13-26-22;1-30-19-4-2-3-16(22(29)27-20-10-9-15(23)12-26-20)17(19)11-18(28)13-5-7-14(8-6-13)21(24)25/h5-13,17,29H,2-4,14-16H2,1H3,(H,30,31,34);4-12,16,28H,2-3,13-15H2,1H3,(H,29,30,33);3-11,13,25H,12H2,1-2H3,(H,26,27,29);2-10,12H,11H2,1H3,(H3,24,25)(H,26,27,29)/b29-26-;28-25-;25-14+;.

What are the key properties of 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 1812.71 g/mol, XLogP of 18.59, 28 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 158622285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).