ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate

C24H26ClNO3 — CID 46049343

IUPACethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(CC)N(Cc2cccc(C)c2)C(=O)CC1c1cccc(Cl)c1
InChIInChI=1S/C24H26ClNO3/c1-4-21-23(24(28)29-5-2)20(18-10-7-11-19(25)13-18)14-22(27)26(21)15-17-9-6-8-16(3)12-17/h6-13,20H,4-5,14-15H2,1-3H3
InChIKeyVSDUUXFBPHCJFE-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.39
Rot. Bonds6

About ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate

ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 46049343) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID46049343
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Nameethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(CC)N(Cc2cccc(C)c2)C(=O)CC1c1cccc(Cl)c1
InChIInChI=1S/C24H26ClNO3/c1-4-21-23(24(28)29-5-2)20(18-10-7-11-19(25)13-18)14-22(27)26(21)15-17-9-6-8-16(3)12-17/h6-13,20H,4-5,14-15H2,1-3H3
InChIKeyVSDUUXFBPHCJFE-UHFFFAOYSA-N
XLogP5.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate with MolForge

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Related Compounds

prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854673
ethyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854511
ethyl 4-(3-chlorophenyl)-1-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4016830
methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854520
ethyl 4-(3-chlorophenyl)-1-[[4-(2-methoxyethylcarbamoyl)phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761227
ethyl 4-(3-chlorophenyl)-6-methyl-2-oxo-1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 3951557
ethyl 1-[[3-(benzylcarbamoyl)phenyl]methyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761171
prop-2-enyl 4-(3-chlorophenyl)-1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854679
ethyl 1-[[4-(benzhydrylcarbamoyl)phenyl]methyl]-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4018215
ethyl 4-(3-chlorophenyl)-1-[[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3365051
ethyl 1-[[3-(2-methoxyethylcarbamoyl)phenyl]methyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42662717
ethyl 4-(3-chlorophenyl)-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761501

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 46049343) is ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(CC)N(Cc2cccc(C)c2)C(=O)CC1c1cccc(Cl)c1.
What is the InChIKey of ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is VSDUUXFBPHCJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3/c1-4-21-23(24(28)29-5-2)20(18-10-7-11-19(25)13-18)14-22(27)26(21)15-17-9-6-8-16(3)12-17/h6-13,20H,4-5,14-15H2,1-3H3.
What are the key properties of ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?
ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 411.93 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 46049343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).