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

C27H31ClN2O6 — CID 42761245

IUPACethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)NCCc2ccc(OC)c(OC)c2)C(=O)CC1c1ccc(Cl)cc1
InChIInChI=1S/C27H31ClN2O6/c1-5-36-27(33)26-17(2)30(25(32)15-21(26)19-7-9-20(28)10-8-19)16-24(31)29-13-12-18-6-11-22(34-3)23(14-18)35-4/h6-11,14,21H,5,12-13,15-16H2,1-4H3,(H,29,31)
InChIKeyDCLITCVJXFTIPO-UHFFFAOYSA-N
MW515.01 g/mol
LogP3.87
Rot. Bonds10

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

ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 42761245) has the molecular formula C27H31ClN2O6 and a molecular weight of 515.01 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID42761245
Molecular FormulaC27H31ClN2O6
Molecular Weight515.01 g/mol
Exact Mass514.19
IUPAC Nameethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)NCCc2ccc(OC)c(OC)c2)C(=O)CC1c1ccc(Cl)cc1
InChIInChI=1S/C27H31ClN2O6/c1-5-36-27(33)26-17(2)30(25(32)15-21(26)19-7-9-20(28)10-8-19)16-24(31)29-13-12-18-6-11-22(34-3)23(14-18)35-4/h6-11,14,21H,5,12-13,15-16H2,1-4H3,(H,29,31)
InChIKeyDCLITCVJXFTIPO-UHFFFAOYSA-N
XLogP3.87
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.01
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(pentylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 4001482
ethyl 4-(4-chlorophenyl)-1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761258
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 42761267
ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 5189071
ethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761315
ethyl 4-(4-chlorophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4003631
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 42761268
ethyl 1-[2-(butylamino)-2-oxoethyl]-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761264
ethyl 4-(3-chlorophenyl)-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761501
ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 7297585
4-[[4-(4-chlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]methyl]benzoic acid
CID 42759741
ethyl (4R)-1-[2-(butylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7482271

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 42761245) is ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(CC(=O)NCCc2ccc(OC)c(OC)c2)C(=O)CC1c1ccc(Cl)cc1.
What is the InChIKey of ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is DCLITCVJXFTIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O6/c1-5-36-27(33)26-17(2)30(25(32)15-21(26)19-7-9-20(28)10-8-19)16-24(31)29-13-12-18-6-11-22(34-3)23(14-18)35-4/h6-11,14,21H,5,12-13,15-16H2,1-4H3,(H,29,31).
What are the key properties of ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 515.01 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 42761245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).