ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate

C18H19NO4 — CID 5309566

IUPACethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C(C)=O)c(=O)n(C)c1C
InChIInChI=1S/C18H19NO4/c1-5-23-18(22)14-11(2)19(4)17(21)15(12(3)20)16(14)13-9-7-6-8-10-13/h6-10H,5H2,1-4H3
InChIKeyOBZHVDLZKSBVGW-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.74
Rot. Bonds4

About ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate

ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate (PubChem CID 5309566) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate
PubChem CID5309566
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C(C)=O)c(=O)n(C)c1C
InChIInChI=1S/C18H19NO4/c1-5-23-18(22)14-11(2)19(4)17(21)15(12(3)20)16(14)13-9-7-6-8-10-13/h6-10H,5H2,1-4H3
InChIKeyOBZHVDLZKSBVGW-UHFFFAOYSA-N
XLogP2.74
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate (CID 5309566) is ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)c(C(C)=O)c(=O)n(C)c1C.
What is the InChIKey of ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate?
The InChIKey is OBZHVDLZKSBVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-5-23-18(22)14-11(2)19(4)17(21)15(12(3)20)16(14)13-9-7-6-8-10-13/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate?
ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 5309566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).