ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate

C24H24Cl2N2O4 — CID 4210502

IUPACethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)cc2)C(=O)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H24Cl2N2O4/c1-4-32-24(31)23-15(3)28(13-21(29)27-17-8-5-14(2)6-9-17)22(30)12-18(23)16-7-10-19(25)20(26)11-16/h5-11,18H,4,12-13H2,1-3H3,(H,27,29)
InChIKeyNDVXIFCSDBHABQ-UHFFFAOYSA-N
MW475.37 g/mol
LogP5.09
Rot. Bonds6

About ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate

ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 4210502) has the molecular formula C24H24Cl2N2O4 and a molecular weight of 475.37 g/mol. Its IUPAC name is ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID4210502
Molecular FormulaC24H24Cl2N2O4
Molecular Weight475.37 g/mol
Exact Mass474.11
IUPAC Nameethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)cc2)C(=O)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H24Cl2N2O4/c1-4-32-24(31)23-15(3)28(13-21(29)27-17-8-5-14(2)6-9-17)22(30)12-18(23)16-7-10-19(25)20(26)11-16/h5-11,18H,4,12-13H2,1-3H3,(H,27,29)
InChIKeyNDVXIFCSDBHABQ-UHFFFAOYSA-N
XLogP5.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.37
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761302
ethyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761295
ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate
CID 4535055
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-(3,4-dichlorophenyl)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761305
ethyl 4-(4-chlorophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4003631
ethyl (4S)-4-(4-chlorophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7283283
ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1-[[4-(propylcarbamoyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 3945642
ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 3360745
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 42761267
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 4015823

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 4210502) is ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)cc2)C(=O)CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is NDVXIFCSDBHABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4/c1-4-32-24(31)23-15(3)28(13-21(29)27-17-8-5-14(2)6-9-17)22(30)12-18(23)16-7-10-19(25)20(26)11-16/h5-11,18H,4,12-13H2,1-3H3,(H,27,29).
What are the key properties of ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?
ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 475.37 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 4210502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).