1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid

C15H13NO5 — CID 62109020

IUPAC1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid
SMILESCOC(=O)C(c1ccccc1)n1cc(C(=O)O)ccc1=O
InChIInChI=1S/C15H13NO5/c1-21-15(20)13(10-5-3-2-4-6-10)16-9-11(14(18)19)7-8-12(16)17/h2-9,13H,1H3,(H,18,19)
InChIKeyKYPUYLGRPZZYLS-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.31
Rot. Bonds4

About 1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid

1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 62109020) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid
PubChem CID62109020
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid
SMILESCOC(=O)C(c1ccccc1)n1cc(C(=O)O)ccc1=O
InChIInChI=1S/C15H13NO5/c1-21-15(20)13(10-5-3-2-4-6-10)16-9-11(14(18)19)7-8-12(16)17/h2-9,13H,1H3,(H,18,19)
InChIKeyKYPUYLGRPZZYLS-UHFFFAOYSA-N
XLogP1.31
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 66244713
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154
methyl 2-(1,1-dioxothiazetidin-2-yl)-2-phenylacetate
CID 101164706
5-fluoro-1-(2-oxo-1,2-diphenylethyl)pyridin-2-one
CID 67443871
methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate
CID 84570450
1-[(1S)-1-carboxy-2-phenylethyl]-6-oxopyridine-3-carboxylic acid
CID 110087818
1-(2-methoxy-2-oxo-1-phenylethyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 62109452
methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
CID 20522495
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl 2-(5-aminobenzimidazol-1-yl)-2-phenylacetate
CID 62508537
methyl (2S)-2-[(2R)-4-oxo-2-phenyl-2,3-dihydropyridin-1-yl]-2-phenylacetate
CID 10087413

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid (CID 62109020) is 1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid is COC(=O)C(c1ccccc1)n1cc(C(=O)O)ccc1=O.
What is the InChIKey of 1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is KYPUYLGRPZZYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-21-15(20)13(10-5-3-2-4-6-10)16-9-11(14(18)19)7-8-12(16)17/h2-9,13H,1H3,(H,18,19).
What are the key properties of 1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid?
1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 62109020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).