ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate

C20H23FN2O4 — CID 44592172

IUPACethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(COc2ccc(F)cc2C)nc(N2CCOCC2)c1
InChIInChI=1S/C20H23FN2O4/c1-3-26-20(24)15-11-17(13-27-18-5-4-16(21)10-14(18)2)22-19(12-15)23-6-8-25-9-7-23/h4-5,10-12H,3,6-9,13H2,1-2H3
InChIKeyYYAUUBAJYKASQU-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.12
Rot. Bonds6

About ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate

ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate (PubChem CID 44592172) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate
PubChem CID44592172
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Nameethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(COc2ccc(F)cc2C)nc(N2CCOCC2)c1
InChIInChI=1S/C20H23FN2O4/c1-3-26-20(24)15-11-17(13-27-18-5-4-16(21)10-14(18)2)22-19(12-15)23-6-8-25-9-7-23/h4-5,10-12H,3,6-9,13H2,1-2H3
InChIKeyYYAUUBAJYKASQU-UHFFFAOYSA-N
XLogP3.12
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate (CID 44592172) is ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate is CCOC(=O)c1cc(COc2ccc(F)cc2C)nc(N2CCOCC2)c1.
What is the InChIKey of ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate?
The InChIKey is YYAUUBAJYKASQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-3-26-20(24)15-11-17(13-27-18-5-4-16(21)10-14(18)2)22-19(12-15)23-6-8-25-9-7-23/h4-5,10-12H,3,6-9,13H2,1-2H3.
What are the key properties of ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate?
ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate has a molecular weight of 374.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate is sourced from PubChem (CID 44592172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).