ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate

C15H23NO4 — CID 104765324

IUPACethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(CCOC(C)C)c1C
InChIInChI=1S/C15H23NO4/c1-6-19-15(18)14-11(4)9-13(17)16(12(14)5)7-8-20-10(2)3/h9-10H,6-8H2,1-5H3
InChIKeyGNZACRQLMKVGOL-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.07
Rot. Bonds6

About ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate

ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate (PubChem CID 104765324) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate
PubChem CID104765324
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(CCOC(C)C)c1C
InChIInChI=1S/C15H23NO4/c1-6-19-15(18)14-11(4)9-13(17)16(12(14)5)7-8-20-10(2)3/h9-10H,6-8H2,1-5H3
InChIKeyGNZACRQLMKVGOL-UHFFFAOYSA-N
XLogP2.07
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(2,3-dimethylbutyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 64599477
ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate
CID 58307485
ethyl 1-(3,3-dimethylbutan-2-yl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 104829792
ethyl 2,4-dimethyl-6-oxo-1-(thian-2-ylmethyl)pyridine-3-carboxylate
CID 80610006
ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate
CID 106212313
ethyl 3-benzyl-2-methyl-4-oxoindeno[2,1-b]pyrrole-1-carboxylate
CID 14341438
ethyl 1-(2-cyanophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 11500328
ethyl 5-methyl-4-(4-propan-2-yloxybutyl)-1,2,4-triazole-3-carboxylate
CID 106007875
ethyl 4-formyl-2,6-dimethyl-3-propan-2-yloxybenzoate
CID 87118168
ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate
CID 102414688
ethyl 5-methoxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
CID 99990777
diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate
CID 67893450

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate (CID 104765324) is ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C)cc(=O)n(CCOC(C)C)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate?
The InChIKey is GNZACRQLMKVGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-6-19-15(18)14-11(4)9-13(17)16(12(14)5)7-8-20-10(2)3/h9-10H,6-8H2,1-5H3.
What are the key properties of ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate?
ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate is sourced from PubChem (CID 104765324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).