ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate

C20H21ClN2O6 — CID 10873514

IUPACethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)Cc1c(C(=O)OCC)c(-c2ccc(Cl)cc2)[nH]c(=O)c1NC(C)=O
InChIInChI=1S/C20H21ClN2O6/c1-4-28-15(25)10-14-16(20(27)29-5-2)17(12-6-8-13(21)9-7-12)23-19(26)18(14)22-11(3)24/h6-9H,4-5,10H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyWBHRXTWVPHVTBU-UHFFFAOYSA-N
MW420.85 g/mol
LogP2.94
Rot. Bonds7

About ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 10873514) has the molecular formula C20H21ClN2O6 and a molecular weight of 420.85 g/mol. Its IUPAC name is ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate
PubChem CID10873514
Molecular FormulaC20H21ClN2O6
Molecular Weight420.85 g/mol
Exact Mass420.11
IUPAC Nameethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)Cc1c(C(=O)OCC)c(-c2ccc(Cl)cc2)[nH]c(=O)c1NC(C)=O
InChIInChI=1S/C20H21ClN2O6/c1-4-28-15(25)10-14-16(20(27)29-5-2)17(12-6-8-13(21)9-7-12)23-19(26)18(14)22-11(3)24/h6-9H,4-5,10H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyWBHRXTWVPHVTBU-UHFFFAOYSA-N
XLogP2.94
TPSA114.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate
CID 118278384
ethyl 5-(4-chlorophenyl)sulfanyl-2,6-bis(4-methylphenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 46210296
ethyl 5-acetyl-2,4-bis(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 67907903
ethyl 3-(4-chlorophenyl)-5-(2-methylpropanoylamino)-1,2-oxazole-4-carboxylate
CID 108742858
ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 46320509
ethyl 5-[(2,4-dichlorophenyl)methyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 129080156
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 22831657
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670
ethyl 3-(4-chlorophenyl)-5-(propanoylamino)-1,2-oxazole-4-carboxylate
CID 108742866
ethyl 4-acetamido-2-(4-chlorophenyl)benzoate
CID 139893211
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate
CID 53114196

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate (CID 10873514) is ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)Cc1c(C(=O)OCC)c(-c2ccc(Cl)cc2)[nH]c(=O)c1NC(C)=O.
What is the InChIKey of ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is WBHRXTWVPHVTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O6/c1-4-28-15(25)10-14-16(20(27)29-5-2)17(12-6-8-13(21)9-7-12)23-19(26)18(14)22-11(3)24/h6-9H,4-5,10H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 420.85 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetamido-2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10873514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).