benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C121H119Cl4N7O22 — CID 158244366

About benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 158244366) has the molecular formula C121H119Cl4N7O22 and a molecular weight of 2165.12 g/mol. Its IUPAC name is benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

• Compound Name: benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
• PubChem CID: 158244366
• Molecular Formula: C121H119Cl4N7O22
• Molecular Weight: 2165.12 g/mol
• Exact Mass: 2161.72
• IUPAC Name: benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
• SMILES: COCCN1C(=O)CC(c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C.COCCN1C(=O)CC(c2ccc(C#N)cc2)C(C(=O)OCc2ccccc2OC)=C1C.COCCN1C(=O)CC(c2ccc(Cl)c(Cl)c2)C(C(=O)OCc2ccccc2OC)=C1C.COc1ccccc1COC(=O)C1=C(C)NC(=O)CC1c1ccc(C#N)cc1.COc1ccccc1COC(=O)C1=C(C)NC(=O)CC1c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C29H29NO4.C25H26N2O5.C24H25Cl2NO5.C22H20N2O4.C21H19Cl2NO4/c1-21-28(29(32)34-20-22-9-5-3-6-10-22)26(19-27(31)30(21)17-18-33-2)25-15-13-24(14-16-25)23-11-7-4-8-12-23;1-17-24(25(29)32-16-20-6-4-5-7-22(20)31-3)21(14-23(28)27(17)12-13-30-2)19-10-8-18(15-26)9-11-19;1-15-23(24(29)32-14-17-6-4-5-7-21(17)31-3)18(13-22(28)27(15)10-11-30-2)16-8-9-19(25)20(26)12-16;1-14-21(22(26)28-13-17-5-3-4-6-19(17)27-2)18(11-20(25)24-14)16-9-7-15(12-23)8-10-16;1-12-20(21(26)28-11-14-5-3-4-6-18(14)27-2)15(10-19(25)24-12)13-7-8-16(22)17(23)9-13/h3-16,26H,17-20H2,1-2H3;4-11,21H,12-14,16H2,1-3H3;4-9,12,18H,10-11,13-14H2,1-3H3;3-10,18H,11,13H2,1-2H3,(H,24,25);3-9,15H,10-11H2,1-2H3,(H,24,25)
• InChIKey: GFYAQKYZPBHUFQ-UHFFFAOYSA-N
• XLogP: 21.67
• TPSA: 362.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2165.12
LogP ≤ 5	21.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?

The IUPAC name of benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 158244366) is benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

What is the SMILES notation for benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?

The canonical SMILES for benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is COCCN1C(=O)CC(c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C.COCCN1C(=O)CC(c2ccc(C#N)cc2)C(C(=O)OCc2ccccc2OC)=C1C.COCCN1C(=O)CC(c2ccc(Cl)c(Cl)c2)C(C(=O)OCc2ccccc2OC)=C1C.COc1ccccc1COC(=O)C1=C(C)NC(=O)CC1c1ccc(C#N)cc1.COc1ccccc1COC(=O)C1=C(C)NC(=O)CC1c1ccc(Cl)c(Cl)c1.

What is the InChIKey of benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?

The InChIKey is GFYAQKYZPBHUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO4.C25H26N2O5.C24H25Cl2NO5.C22H20N2O4.C21H19Cl2NO4/c1-21-28(29(32)34-20-22-9-5-3-6-10-22)26(19-27(31)30(21)17-18-33-2)25-15-13-24(14-16-25)23-11-7-4-8-12-23;1-17-24(25(29)32-16-20-6-4-5-7-22(20)31-3)21(14-23(28)27(17)12-13-30-2)19-10-8-18(15-26)9-11-19;1-15-23(24(29)32-14-17-6-4-5-7-21(17)31-3)18(13-22(28)27(15)10-11-30-2)16-8-9-19(25)20(26)12-16;1-14-21(22(26)28-13-17-5-3-4-6-19(17)27-2)18(11-20(25)24-14)16-9-7-15(12-23)8-10-16;1-12-20(21(26)28-11-14-5-3-4-6-18(14)27-2)15(10-19(25)24-12)13-7-8-16(22)17(23)9-13/h3-16,26H,17-20H2,1-2H3;4-11,21H,12-14,16H2,1-3H3;4-9,12,18H,10-11,13-14H2,1-3H3;3-10,18H,11,13H2,1-2H3,(H,24,25);3-9,15H,10-11H2,1-2H3,(H,24,25).

What are the key properties of benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?

benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 2165.12 g/mol, XLogP of 21.67, 34 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;(2-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 158244366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).