[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C16H16N2O4 — CID 2365041

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H16N2O4/c1-18(10-12-6-3-2-4-7-12)14(19)11-22-16(21)13-8-5-9-17-15(13)20/h2-9H,10-11H2,1H3,(H,17,20)
InChIKeyVNWSDFVINNWRCO-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.19
Rot. Bonds5

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2365041) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2365041
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H16N2O4/c1-18(10-12-6-3-2-4-7-12)14(19)11-22-16(21)13-8-5-9-17-15(13)20/h2-9H,10-11H2,1H3,(H,17,20)
InChIKeyVNWSDFVINNWRCO-UHFFFAOYSA-N
XLogP1.19
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2365041) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is CN(Cc1ccccc1)C(=O)COC(=O)c1ccc[nH]c1=O.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is VNWSDFVINNWRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-18(10-12-6-3-2-4-7-12)14(19)11-22-16(21)13-8-5-9-17-15(13)20/h2-9H,10-11H2,1H3,(H,17,20).
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2365041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).