propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C20H24ClNO5 — CID 42854773

IUPACpropan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)CN1C(=O)CC(c2cccc(Cl)c2)C(C(=O)OC(C)C)=C1C
InChIInChI=1S/C20H24ClNO5/c1-5-26-18(24)11-22-13(4)19(20(25)27-12(2)3)16(10-17(22)23)14-7-6-8-15(21)9-14/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyOBVZHNLMDFEGSP-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.44
Rot. Bonds6

About propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 42854773) has the molecular formula C20H24ClNO5 and a molecular weight of 393.87 g/mol. Its IUPAC name is propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID42854773
Molecular FormulaC20H24ClNO5
Molecular Weight393.87 g/mol
Exact Mass393.13
IUPAC Namepropan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)CN1C(=O)CC(c2cccc(Cl)c2)C(C(=O)OC(C)C)=C1C
InChIInChI=1S/C20H24ClNO5/c1-5-26-18(24)11-22-13(4)19(20(25)27-12(2)3)16(10-17(22)23)14-7-6-8-15(21)9-14/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyOBVZHNLMDFEGSP-UHFFFAOYSA-N
XLogP3.44
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-(4-tert-butylphenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854790
ethyl 4-(3-chlorophenyl)-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761501
2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42854921
ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 3360745
prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854673
ethyl (4S)-1-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7417222
propan-2-yl 4-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854819
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
propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate
CID 42854793
ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-3,4-dihydropyridine-5-carboxylate
CID 3501939
ethyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761295

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 42854773) is propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)CN1C(=O)CC(c2cccc(Cl)c2)C(C(=O)OC(C)C)=C1C.
What is the InChIKey of propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is OBVZHNLMDFEGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO5/c1-5-26-18(24)11-22-13(4)19(20(25)27-12(2)3)16(10-17(22)23)14-7-6-8-15(21)9-14/h6-9,12,16H,5,10-11H2,1-4H3.
What are the key properties of propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 393.87 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 42854773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).