ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate

C18H20FNO3 — CID 101448107

IUPACethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(CC)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H20FNO3/c1-4-16-12(3)10-15(18(22)23-5-2)17(21)20(16)11-13-6-8-14(19)9-7-13/h6-10H,4-5,11H2,1-3H3
InChIKeyMVMBROUATOZKKB-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.08
Rot. Bonds5

About ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate

ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate (PubChem CID 101448107) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate
PubChem CID101448107
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Nameethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(CC)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H20FNO3/c1-4-16-12(3)10-15(18(22)23-5-2)17(21)20(16)11-13-6-8-14(19)9-7-13/h6-10H,4-5,11H2,1-3H3
InChIKeyMVMBROUATOZKKB-UHFFFAOYSA-N
XLogP3.08
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate (CID 101448107) is ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate is CCOC(=O)c1cc(C)c(CC)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate?
The InChIKey is MVMBROUATOZKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-4-16-12(3)10-15(18(22)23-5-2)17(21)20(16)11-13-6-8-14(19)9-7-13/h6-10H,4-5,11H2,1-3H3.
What are the key properties of ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate?
ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate has a molecular weight of 317.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 101448107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).