dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate

C16H15NO6 — CID 135003562

IUPACdimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(O)cc(=O)n(Cc2ccccc2)c1C(=O)OC
InChIInChI=1S/C16H15NO6/c1-22-15(20)13-11(18)8-12(19)17(14(13)16(21)23-2)9-10-6-4-3-5-7-10/h3-8,18H,9H2,1-2H3
InChIKeyQFHHMNUSXOPTKY-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.18
Rot. Bonds4

About dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate

dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate (PubChem CID 135003562) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate
PubChem CID135003562
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Namedimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(O)cc(=O)n(Cc2ccccc2)c1C(=O)OC
InChIInChI=1S/C16H15NO6/c1-22-15(20)13-11(18)8-12(19)17(14(13)16(21)23-2)9-10-6-4-3-5-7-10/h3-8,18H,9H2,1-2H3
InChIKeyQFHHMNUSXOPTKY-UHFFFAOYSA-N
XLogP1.18
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propyl-1,6-dihydro-3-pyridinecarboxylate
CID 54694325
methyl 2-[2-[benzyl(tert-butyl)amino]-2-oxoethoxy]-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate
CID 16250930
6-[(4-Fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione
CID 59240917
Methyl 4-hydroxy-6-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,6-dihydro-3-pyridinecarboxylate
CID 67104868
2-[2-(4-Fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid
CID 67708820
2-[Tert-butyl-[4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 68780782
2-[[1-[(4-Fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 71134280
2-[(4-Fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid
CID 118981500
2-[[1-[(2-Fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 118981542
2-[(2-Fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid
CID 118981544
Ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
CID 118981548
2-[[1-[(3-Fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 118981549

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate (CID 135003562) is dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate is COC(=O)c1c(O)cc(=O)n(Cc2ccccc2)c1C(=O)OC.
What is the InChIKey of dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate?
The InChIKey is QFHHMNUSXOPTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-22-15(20)13-11(18)8-12(19)17(14(13)16(21)23-2)9-10-6-4-3-5-7-10/h3-8,18H,9H2,1-2H3.
What are the key properties of dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate?
dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate has a molecular weight of 317.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate is sourced from PubChem (CID 135003562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).