ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate

C17H20N2O5 — CID 22405492

IUPACethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccnc2)n(CC(OC)OC)c1=O
InChIInChI=1S/C17H20N2O5/c1-4-24-17(21)13-7-8-14(12-6-5-9-18-10-12)19(16(13)20)11-15(22-2)23-3/h5-10,15H,4,11H2,1-3H3
InChIKeyYMDZVHNSCFBNSY-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.71
Rot. Bonds7

About ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate

ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate (PubChem CID 22405492) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate
PubChem CID22405492
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Nameethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccnc2)n(CC(OC)OC)c1=O
InChIInChI=1S/C17H20N2O5/c1-4-24-17(21)13-7-8-14(12-6-5-9-18-10-12)19(16(13)20)11-15(22-2)23-3/h5-10,15H,4,11H2,1-3H3
InChIKeyYMDZVHNSCFBNSY-UHFFFAOYSA-N
XLogP1.71
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 10381261
1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 19695842
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 1-(2,2-dimethoxyethyl)-2-methyl-5-phenylpyrrole-3-carboxylate
CID 132821654
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665
ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
CID 46317979
ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate
CID 10038711
ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate
CID 134976381
ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317829
ethyl 2-fluoro-3,5-dipyridin-3-ylbenzoate
CID 46317975
ethyl 4-(chloromethyl)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 102973435
ethyl 1-propan-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 163398875

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate (CID 22405492) is ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cccnc2)n(CC(OC)OC)c1=O.
What is the InChIKey of ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate?
The InChIKey is YMDZVHNSCFBNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-4-24-17(21)13-7-8-14(12-6-5-9-18-10-12)19(16(13)20)11-15(22-2)23-3/h5-10,15H,4,11H2,1-3H3.
What are the key properties of ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate?
ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate is sourced from PubChem (CID 22405492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).