ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate

C14H11N3O3 — CID 165453183

IUPACethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)[nH]c(=O)c1C#N
InChIInChI=1S/C14H11N3O3/c1-2-20-14(19)10-7-12(9-3-5-16-6-4-9)17-13(18)11(10)8-15/h3-7H,2H2,1H3,(H,17,18)
InChIKeyOGYKLTNOVXTGKK-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.49
Rot. Bonds3

About ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate

ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate (PubChem CID 165453183) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate
PubChem CID165453183
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Nameethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)[nH]c(=O)c1C#N
InChIInChI=1S/C14H11N3O3/c1-2-20-14(19)10-7-12(9-3-5-16-6-4-9)17-13(18)11(10)8-15/h3-7H,2H2,1H3,(H,17,18)
InChIKeyOGYKLTNOVXTGKK-UHFFFAOYSA-N
XLogP1.49
TPSA95.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate 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

ethyl 6-tert-butyl-3-cyano-2-oxo-1H-pyridine-4-carboxylate
CID 2781757
ethyl 3-cyano-2-oxo-6-pentyl-1H-pyridine-4-carboxylate
CID 165460318
ethyl 2-[(2S)-2-amino-3-methylbutyl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylate;dihydrochloride
CID 69181528
ethyl 5-[4-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 135021728
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 11493199
ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate
CID 20553774
ethyl 5-cyano-6-[(3-cyano-5-ethoxycarbonyl-6-methyl-4-pyridin-4-yl-2-pyridinyl)diazenyl]-2-methyl-4-pyridin-4-ylpyridine-3-carboxylate
CID 70675449
ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate
CID 69184204
2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 134820680
N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 125478368
ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate
CID 10038711

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate (CID 165453183) is ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccncc2)[nH]c(=O)c1C#N.
What is the InChIKey of ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate?
The InChIKey is OGYKLTNOVXTGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-2-20-14(19)10-7-12(9-3-5-16-6-4-9)17-13(18)11(10)8-15/h3-7H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate?
ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate is sourced from PubChem (CID 165453183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).