benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C16H15NO4 — CID 10016767

IUPACbenzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCC(=O)c1cc(C(=O)OCc2ccccc2)c(C)[nH]c1=O
InChIInChI=1S/C16H15NO4/c1-10-13(8-14(11(2)18)15(19)17-10)16(20)21-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyLKKVWCLXHJMUHP-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.24
Rot. Bonds4

About benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate

benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 10016767) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID10016767
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namebenzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCC(=O)c1cc(C(=O)OCc2ccccc2)c(C)[nH]c1=O
InChIInChI=1S/C16H15NO4/c1-10-13(8-14(11(2)18)15(19)17-10)16(20)21-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyLKKVWCLXHJMUHP-UHFFFAOYSA-N
XLogP2.24
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Berkeleyamide B
CID 24879337
Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 9993158
3-acetyl-4,5-dimethyl-5-phenylmethoxy-1H-pyrrol-2-one
CID 10635017
3-acetyl-4,5-dimethyl-5-(2-phenylethoxy)-1H-pyrrol-2-one
CID 10802225
[(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate
CID 164617612
[(R)-[5-(3-methylbutanoylcarbamoyl)-4-oxopyran-2-yl]-phenylmethyl] acetate
CID 162890550
[(R)-[5-[[(2S)-2-methylbutanoyl]carbamoyl]-4-oxopyran-2-yl]-phenylmethyl] acetate
CID 163106110
Ethyl 3-(benzyloxy)-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate
CID 12089327
Ethyl 6-methyl-4-phenyl-2-oxo-1,2-dihydropyridine-5-carboxylate
CID 129855989
3-(benzyloxymethyl)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 493536
Ethyl 2-acetyl-2-(aminocarbonyl)-3,6-dimethyl-5-phenyl-1,2-dihydro-4-pyridinecarboxylate
CID 3510035
ethyl 2-ethyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
CID 44471516

Frequently Asked Questions

What is the IUPAC name of benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 10016767) is benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate is CC(=O)c1cc(C(=O)OCc2ccccc2)c(C)[nH]c1=O.
What is the InChIKey of benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is LKKVWCLXHJMUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-13(8-14(11(2)18)15(19)17-10)16(20)21-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10016767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).