ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate

C20H24FNO4 — CID 14726082

IUPACethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)c(COC)c(=O)n(C)c1C(C)C
InChIInChI=1S/C20H24FNO4/c1-6-26-20(24)17-16(13-7-9-14(21)10-8-13)15(11-25-5)19(23)22(4)18(17)12(2)3/h7-10,12H,6,11H2,1-5H3
InChIKeyFVTFAZWHXXSTDY-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.64
Rot. Bonds6

About ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate

ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate (PubChem CID 14726082) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate
PubChem CID14726082
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Nameethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)c(COC)c(=O)n(C)c1C(C)C
InChIInChI=1S/C20H24FNO4/c1-6-26-20(24)17-16(13-7-9-14(21)10-8-13)15(11-25-5)19(23)22(4)18(17)12(2)3/h7-10,12H,6,11H2,1-5H3
InChIKeyFVTFAZWHXXSTDY-UHFFFAOYSA-N
XLogP3.64
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate (CID 14726082) is ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)c(COC)c(=O)n(C)c1C(C)C.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate?
The InChIKey is FVTFAZWHXXSTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-6-26-20(24)17-16(13-7-9-14(21)10-8-13)15(11-25-5)19(23)22(4)18(17)12(2)3/h7-10,12H,6,11H2,1-5H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate?
ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate has a molecular weight of 361.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-5-(methoxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 14726082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).