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

C22H29ClN2O4 — CID 3986229

IUPACethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)NCCC(C)C)C(=O)CC1c1ccccc1Cl
InChIInChI=1S/C22H29ClN2O4/c1-5-29-22(28)21-15(4)25(13-19(26)24-11-10-14(2)3)20(27)12-17(21)16-8-6-7-9-18(16)23/h6-9,14,17H,5,10-13H2,1-4H3,(H,24,26)
InChIKeyAEPOTAVDCSJULB-UHFFFAOYSA-N
MW420.94 g/mol
LogP3.66
Rot. Bonds8

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

ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 3986229) has the molecular formula C22H29ClN2O4 and a molecular weight of 420.94 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID3986229
Molecular FormulaC22H29ClN2O4
Molecular Weight420.94 g/mol
Exact Mass420.18
IUPAC Nameethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)NCCC(C)C)C(=O)CC1c1ccccc1Cl
InChIInChI=1S/C22H29ClN2O4/c1-5-29-22(28)21-15(4)25(13-19(26)24-11-10-14(2)3)20(27)12-17(21)16-8-6-7-9-18(16)23/h6-9,14,17H,5,10-13H2,1-4H3,(H,24,26)
InChIKeyAEPOTAVDCSJULB-UHFFFAOYSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

ethyl 1-[2-(benzhydrylamino)-2-oxoethyl]-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 5025158
ethyl 6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42761455
ethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 42761203
ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(pentylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 4001482
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 42761268
ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate
CID 92517586
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 42761267
ethyl 4-(3-chlorophenyl)-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761501
ethyl 1-[2-(butylamino)-2-oxoethyl]-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761264
ethyl 4-(4-chlorophenyl)-1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761258
ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 7297585
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-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 3986229) is ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(CC(=O)NCCC(C)C)C(=O)CC1c1ccccc1Cl.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is AEPOTAVDCSJULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O4/c1-5-29-22(28)21-15(4)25(13-19(26)24-11-10-14(2)3)20(27)12-17(21)16-8-6-7-9-18(16)23/h6-9,14,17H,5,10-13H2,1-4H3,(H,24,26).
What are the key properties of ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?
ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 420.94 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 3986229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).