dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate

C20H17NO6 — CID 135003784

IUPACdimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(O)cc(=O)n(Cc2cccc3ccccc23)c1C(=O)OC
InChIInChI=1S/C20H17NO6/c1-26-19(24)17-15(22)10-16(23)21(18(17)20(25)27-2)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-10,22H,11H2,1-2H3
InChIKeyQFDCOKXJWRCEFK-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.33
Rot. Bonds4

About dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate

dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate (PubChem CID 135003784) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate
PubChem CID135003784
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Namedimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(O)cc(=O)n(Cc2cccc3ccccc23)c1C(=O)OC
InChIInChI=1S/C20H17NO6/c1-26-19(24)17-15(22)10-16(23)21(18(17)20(25)27-2)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-10,22H,11H2,1-2H3
InChIKeyQFDCOKXJWRCEFK-UHFFFAOYSA-N
XLogP2.33
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Diethyl 3-methoxy-4-[methoxycarbonyl(naphthalen-1-ylmethyl)amino]cyclopenta-1,3-diene-1,2-dicarboxylate
CID 135003336
Dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate
CID 135003562
Dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate
CID 135004002
Ditert-butyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate
CID 135032454
2-[[4-hydroxy-1-(naphthalen-2-ylmethyl)-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonyl]amino]acetic acid
CID 118978327
2-[[4-Hydroxy-1-(naphthalen-2-ylmethyl)-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 118981577
Methyl 1-[(2,4-dimethylphenyl)methyl]-2,4-dihydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CID 136352687
Methyl 1-[(2,5-dimethylphenyl)methyl]-2,4-dihydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CID 136352693
7-[Methyl(naphthalen-2-ylmethyl)amino]-2-oxo-5,6-dihydrochromene-3-carboxylic acid
CID 144753630
3-Hydroxy-2-[methoxycarbonyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 152012414
1-(Naphthalen-1-ylmethyl)-6-oxopyridine-2-carboxylic acid
CID 108108619
2-(Methoxymethyl)-6-methyl-1-(1-naphthylmethyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid
CID 118759654

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate (CID 135003784) is dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate is COC(=O)c1c(O)cc(=O)n(Cc2cccc3ccccc23)c1C(=O)OC.
What is the InChIKey of dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate?
The InChIKey is QFDCOKXJWRCEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-26-19(24)17-15(22)10-16(23)21(18(17)20(25)27-2)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-10,22H,11H2,1-2H3.
What are the key properties of dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate?
dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate has a molecular weight of 367.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate is sourced from PubChem (CID 135003784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).