methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C16H16N2O4 — CID 874068

IUPACmethyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCc2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C16H16N2O4/c1-10-12(16(21)22-2)8-13(15(20)18-10)14(19)17-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeySCVGYZVGMGTVLX-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.40
Rot. Bonds4

About methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate

methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 874068) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID874068
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namemethyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCc2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C16H16N2O4/c1-10-12(16(21)22-2)8-13(15(20)18-10)14(19)17-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeySCVGYZVGMGTVLX-UHFFFAOYSA-N
XLogP1.40
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 874068) is methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1cc(C(=O)NCc2ccccc2)c(=O)[nH]c1C.
What is the InChIKey of methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is SCVGYZVGMGTVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-12(16(21)22-2)8-13(15(20)18-10)14(19)17-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(benzylcarbamoyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 874068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).