diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate

C16H23NO5 — CID 67893450

IUPACdiethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate
SMILESCCCCn1c(C)cc(=O)c(C(=O)OCC)c1C(=O)OCC
InChIInChI=1S/C16H23NO5/c1-5-8-9-17-11(4)10-12(18)13(15(19)21-6-2)14(17)16(20)22-7-3/h10H,5-9H2,1-4H3
InChIKeyAFGBHAYLIWJNPB-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.31
Rot. Bonds7

About diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate

diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate (PubChem CID 67893450) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate
PubChem CID67893450
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Namediethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate
SMILESCCCCn1c(C)cc(=O)c(C(=O)OCC)c1C(=O)OCC
InChIInChI=1S/C16H23NO5/c1-5-8-9-17-11(4)10-12(18)13(15(19)21-6-2)14(17)16(20)22-7-3/h10H,5-9H2,1-4H3
InChIKeyAFGBHAYLIWJNPB-UHFFFAOYSA-N
XLogP2.31
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-butyl-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
CID 102196273
ethyl 2-butoxy-6-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 118582299
ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
CID 14075368
ethane;ethyl 1,3,5-trimethylpyrrole-2-carboxylate
CID 155705747
ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate
CID 58307485
ethyl 5-butyl-7-oxo-2,3-dihydro-1H-indolizine-6-carboxylate
CID 139775501
ethyl 4-bromo-1-butylpyrazole-5-carboxylate
CID 122171224
ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
CID 22159888
1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide
CID 73402979
2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide
CID 66821296
ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate
CID 124823452
ethyl 7-bromo-1-butylindole-2-carboxylate
CID 171662940

Frequently Asked Questions

What is the IUPAC name of diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate?
The IUPAC name of diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate (CID 67893450) is diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate.
What is the SMILES notation for diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate?
The canonical SMILES for diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate is CCCCn1c(C)cc(=O)c(C(=O)OCC)c1C(=O)OCC.
What is the InChIKey of diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate?
The InChIKey is AFGBHAYLIWJNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-5-8-9-17-11(4)10-12(18)13(15(19)21-6-2)14(17)16(20)22-7-3/h10H,5-9H2,1-4H3.
What are the key properties of diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate?
diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate has a molecular weight of 309.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate is sourced from PubChem (CID 67893450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).