2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one

C17H21FN2O2 — CID 82218924

IUPAC2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one
SMILESCCN(CC)Cc1cc(=O)c(O)cn1Cc1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-3-19(4-2)11-14-9-16(21)17(22)12-20(14)10-13-7-5-6-8-15(13)18/h5-9,12,22H,3-4,10-11H2,1-2H3
InChIKeyLKGJWXQZXZFCJX-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.58
Rot. Bonds6

About 2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one

2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one (PubChem CID 82218924) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one
PubChem CID82218924
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one
SMILESCCN(CC)Cc1cc(=O)c(O)cn1Cc1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-3-19(4-2)11-14-9-16(21)17(22)12-20(14)10-13-7-5-6-8-15(13)18/h5-9,12,22H,3-4,10-11H2,1-2H3
InChIKeyLKGJWXQZXZFCJX-UHFFFAOYSA-N
XLogP2.58
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one?
The IUPAC name of 2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one (CID 82218924) is 2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one.
What is the SMILES notation for 2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one?
The canonical SMILES for 2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one is CCN(CC)Cc1cc(=O)c(O)cn1Cc1ccccc1F.
What is the InChIKey of 2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one?
The InChIKey is LKGJWXQZXZFCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-3-19(4-2)11-14-9-16(21)17(22)12-20(14)10-13-7-5-6-8-15(13)18/h5-9,12,22H,3-4,10-11H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one?
2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one has a molecular weight of 304.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one is sourced from PubChem (CID 82218924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).