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

C20H19NO4 — CID 59575811

IUPACbenzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate
SMILESO=C(OCc1ccccc1)C1=C(O)CN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C20H19NO4/c22-18-13-21(12-15-7-3-1-4-8-15)19(23)11-17(18)20(24)25-14-16-9-5-2-6-10-16/h1-10,22H,11-14H2
InChIKeyZPLBIDRVDMCSNE-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.97
Rot. Bonds5

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

benzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate (PubChem CID 59575811) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is benzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate
PubChem CID59575811
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namebenzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate
SMILESO=C(OCc1ccccc1)C1=C(O)CN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C20H19NO4/c22-18-13-21(12-15-7-3-1-4-8-15)19(23)11-17(18)20(24)25-14-16-9-5-2-6-10-16/h1-10,22H,11-14H2
InChIKeyZPLBIDRVDMCSNE-UHFFFAOYSA-N
XLogP2.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate?
The IUPAC name of benzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate (CID 59575811) is benzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate.
What is the SMILES notation for benzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate?
The canonical SMILES for benzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate is O=C(OCc1ccccc1)C1=C(O)CN(Cc2ccccc2)C(=O)C1.
What is the InChIKey of benzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate?
The InChIKey is ZPLBIDRVDMCSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-18-13-21(12-15-7-3-1-4-8-15)19(23)11-17(18)20(24)25-14-16-9-5-2-6-10-16/h1-10,22H,11-14H2.
What are the key properties of benzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate?
benzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate is sourced from PubChem (CID 59575811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).