5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one

C12H19FN2O — CID 178064131

IUPAC5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one
SMILESCCN(CC)CCc1c[nH]c(=O)cc1CF
InChIInChI=1S/C12H19FN2O/c1-3-15(4-2)6-5-10-9-14-12(16)7-11(10)8-13/h7,9H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyGPYLFTGYFDSCPY-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.73
Rot. Bonds6

About 5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one

5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one (PubChem CID 178064131) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one
PubChem CID178064131
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one
SMILESCCN(CC)CCc1c[nH]c(=O)cc1CF
InChIInChI=1S/C12H19FN2O/c1-3-15(4-2)6-5-10-9-14-12(16)7-11(10)8-13/h7,9H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyGPYLFTGYFDSCPY-UHFFFAOYSA-N
XLogP1.73
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one (CID 178064131) is 5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one is CCN(CC)CCc1c[nH]c(=O)cc1CF.
What is the InChIKey of 5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one?
The InChIKey is GPYLFTGYFDSCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-15(4-2)6-5-10-9-14-12(16)7-11(10)8-13/h7,9H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of 5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one?
5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one has a molecular weight of 226.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 178064131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).