2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one

C16H19FN2O2 — CID 82217638

IUPAC2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)C)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c1-11-8-15(20)16(21)14(10-18(2)3)19(11)9-12-4-6-13(17)7-5-12/h4-8,21H,9-10H2,1-3H3
InChIKeyKPINGLFVBKLMSD-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.11
Rot. Bonds4

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

2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one (PubChem CID 82217638) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one
PubChem CID82217638
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)C)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c1-11-8-15(20)16(21)14(10-18(2)3)19(11)9-12-4-6-13(17)7-5-12/h4-8,21H,9-10H2,1-3H3
InChIKeyKPINGLFVBKLMSD-UHFFFAOYSA-N
XLogP2.11
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one (CID 82217638) is 2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one is Cc1cc(=O)c(O)c(CN(C)C)n1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is KPINGLFVBKLMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-11-8-15(20)16(21)14(10-18(2)3)19(11)9-12-4-6-13(17)7-5-12/h4-8,21H,9-10H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one?
2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 290.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 82217638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).