3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one

C21H21FN2O4 — CID 54703511

IUPAC3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(C(c2cccc(F)c2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C
InChIInChI=1S/C21H21FN2O4/c1-11-8-15(25)18(20(27)23(11)3)17(13-6-5-7-14(22)10-13)19-16(26)9-12(2)24(4)21(19)28/h5-10,17,25-26H,1-4H3
InChIKeyKNJUNOIQPDKPCI-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.43
Rot. Bonds3

About 3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one

3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one (PubChem CID 54703511) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one
PubChem CID54703511
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(C(c2cccc(F)c2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C
InChIInChI=1S/C21H21FN2O4/c1-11-8-15(25)18(20(27)23(11)3)17(13-6-5-7-14(22)10-13)19-16(26)9-12(2)24(4)21(19)28/h5-10,17,25-26H,1-4H3
InChIKeyKNJUNOIQPDKPCI-UHFFFAOYSA-N
XLogP2.43
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one with MolForge

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Related Compounds

3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one
CID 54703565
4-[(3-fluorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 3164617
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729071
1-ethyl-3-[(S)-(3-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739400
3-[(R)-(3-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739569
3-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 92526442
5-hydroxy-2,3-dimethylisoquinolin-1-one
CID 115063617
3-[(4-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-4-hydroxy-1-methylquinolin-2-one
CID 54682941
1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92762526
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one
CID 54677335
1-(3-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482464

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one (CID 54703511) is 3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one is Cc1cc(O)c(C(c2cccc(F)c2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C.
What is the InChIKey of 3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one?
The InChIKey is KNJUNOIQPDKPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-11-8-15(25)18(20(27)23(11)3)17(13-6-5-7-14(22)10-13)19-16(26)9-12(2)24(4)21(19)28/h5-10,17,25-26H,1-4H3.
What are the key properties of 3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one?
3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one has a molecular weight of 384.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 54703511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).