1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one

C20H26FN3O2 — CID 54692533

IUPAC1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c(C(c2ccccc2F)N2CCN(C)CC2)c1=O
InChIInChI=1S/C20H26FN3O2/c1-4-24-14(2)13-17(25)18(20(24)26)19(15-7-5-6-8-16(15)21)23-11-9-22(3)10-12-23/h5-8,13,19,25H,4,9-12H2,1-3H3
InChIKeyLGWNVDGNYYRQJR-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.36
Rot. Bonds4

About 1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one

1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54692533) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54692533
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c(C(c2ccccc2F)N2CCN(C)CC2)c1=O
InChIInChI=1S/C20H26FN3O2/c1-4-24-14(2)13-17(25)18(20(24)26)19(15-7-5-6-8-16(15)21)23-11-9-22(3)10-12-23/h5-8,13,19,25H,4,9-12H2,1-3H3
InChIKeyLGWNVDGNYYRQJR-UHFFFAOYSA-N
XLogP2.36
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 54692533) is 1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one is CCn1c(C)cc(O)c(C(c2ccccc2F)N2CCN(C)CC2)c1=O.
What is the InChIKey of 1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is LGWNVDGNYYRQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-4-24-14(2)13-17(25)18(20(24)26)19(15-7-5-6-8-16(15)21)23-11-9-22(3)10-12-23/h5-8,13,19,25H,4,9-12H2,1-3H3.
What are the key properties of 1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?
1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 359.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54692533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).