1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid

C16H17NO5 — CID 19695842

IUPAC1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
SMILESCOC(Cn1c(-c2ccccc2)ccc(C(=O)O)c1=O)OC
InChIInChI=1S/C16H17NO5/c1-21-14(22-2)10-17-13(11-6-4-3-5-7-11)9-8-12(15(17)18)16(19)20/h3-9,14H,10H2,1-2H3,(H,19,20)
InChIKeyOYOYEZXOTCKIER-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.83
Rot. Bonds6

About 1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid

1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid (PubChem CID 19695842) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
PubChem CID19695842
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
SMILESCOC(Cn1c(-c2ccccc2)ccc(C(=O)O)c1=O)OC
InChIInChI=1S/C16H17NO5/c1-21-14(22-2)10-17-13(11-6-4-3-5-7-11)9-8-12(15(17)18)16(19)20/h3-9,14H,10H2,1-2H3,(H,19,20)
InChIKeyOYOYEZXOTCKIER-UHFFFAOYSA-N
XLogP1.83
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-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-Benzyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 2764021
4,6-Diethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 20316375
6-Ethyl-1-(4-fluorobenzyl)-5-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 24857786
1-[(2,4-Difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid
CID 59718762
1-[(3,4-Difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid
CID 59718853
1-[(4-Fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxylic acid
CID 59718892
1,2-Dihydro-2-oxo-1-phenylmethyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 68495428
1-[(3,4-Difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82918916
1-[Fluoro-(2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 132211846
Ethyl 1-(2,2-diethoxyethyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carboxylate
CID 139620463
ethyl (5E,6Z)-5-[(Z)-but-2-enylidene]-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-6-propylidenepyridine-3-carboxylate
CID 166831514
2-[3-(2,2-Dimethoxyethylamino)-3-(4-fluorophenyl)prop-2-enylidene]propanedioic acid
CID 173252959

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid (CID 19695842) is 1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid is COC(Cn1c(-c2ccccc2)ccc(C(=O)O)c1=O)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid?
The InChIKey is OYOYEZXOTCKIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-21-14(22-2)10-17-13(11-6-4-3-5-7-11)9-8-12(15(17)18)16(19)20/h3-9,14H,10H2,1-2H3,(H,19,20).
What are the key properties of 1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid?
1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 19695842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).