ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate

C18H21NO3 — CID 11702145

IUPACethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(-c2ccc(CC)cc2)c1C
InChIInChI=1S/C18H21NO3/c1-5-14-7-9-15(10-8-14)19-13(4)17(18(21)22-6-2)12(3)11-16(19)20/h7-11H,5-6H2,1-4H3
InChIKeyCCMMBQZDLRNXSB-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.19
Rot. Bonds4

About ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate

ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate (PubChem CID 11702145) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
PubChem CID11702145
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(-c2ccc(CC)cc2)c1C
InChIInChI=1S/C18H21NO3/c1-5-14-7-9-15(10-8-14)19-13(4)17(18(21)22-6-2)12(3)11-16(19)20/h7-11H,5-6H2,1-4H3
InChIKeyCCMMBQZDLRNXSB-UHFFFAOYSA-N
XLogP3.19
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate (CID 11702145) is ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate is CCOC(=O)c1c(C)cc(=O)n(-c2ccc(CC)cc2)c1C.
What is the InChIKey of ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate?
The InChIKey is CCMMBQZDLRNXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-5-14-7-9-15(10-8-14)19-13(4)17(18(21)22-6-2)12(3)11-16(19)20/h7-11H,5-6H2,1-4H3.
What are the key properties of ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate?
ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 11702145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).