methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate

C14H15NO4 — CID 70295519

IUPACmethyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(O)CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C14H15NO4/c1-19-14(18)11-9-15(13(17)7-12(11)16)8-10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3
InChIKeyKCXRFXJRHKHNLI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.40
Rot. Bonds3

About methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate

methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate (PubChem CID 70295519) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate
PubChem CID70295519
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(O)CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C14H15NO4/c1-19-14(18)11-9-15(13(17)7-12(11)16)8-10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3
InChIKeyKCXRFXJRHKHNLI-UHFFFAOYSA-N
XLogP1.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate?
The IUPAC name of methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate (CID 70295519) is methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate.
What is the SMILES notation for methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate?
The canonical SMILES for methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate is COC(=O)C1=C(O)CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate?
The InChIKey is KCXRFXJRHKHNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-19-14(18)11-9-15(13(17)7-12(11)16)8-10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3.
What are the key properties of methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate?
methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate is sourced from PubChem (CID 70295519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).