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

C15H12N2O3 — CID 2726278

IUPACethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)[nH]c(=O)c1C#N
InChIInChI=1S/C15H12N2O3/c1-2-20-15(19)11-8-13(10-6-4-3-5-7-10)17-14(18)12(11)9-16/h3-8H,2H2,1H3,(H,17,18)
InChIKeyKJWCKDUAUSMBFC-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.09
Rot. Bonds3

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

ethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate (PubChem CID 2726278) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate
PubChem CID2726278
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Nameethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)[nH]c(=O)c1C#N
InChIInChI=1S/C15H12N2O3/c1-2-20-15(19)11-8-13(10-6-4-3-5-7-10)17-14(18)12(11)9-16/h3-8H,2H2,1H3,(H,17,18)
InChIKeyKJWCKDUAUSMBFC-UHFFFAOYSA-N
XLogP2.09
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
CID 2814576
2-Oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 260511
Ethyl (2z)-3-amino-2-cyano-3-phenylprop-2-enoate
CID 10632495
3,3-Dimethyl-6-oxo-8-phenyl-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 645645
Ethyl 4-acetamido-alpha-cyanocinnamate
CID 245851
N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxopyridin-1(2H)-yl]acetamide
CID 4904161
6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridine-4-carboxylic acid ethyl ester
CID 2726279
methyl (Z)-3-acetamido-3-(4-fluorophenyl)prop-2-enoate
CID 11390740
methyl (E)-3-acetamido-3-(4-fluorophenyl)prop-2-enoate
CID 21052132
Phenamacril
CID 66655715
Methyl 3-acetamido-3-(4-fluorophenyl)prop-2-enoate
CID 71210686
Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate
CID 1471704

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate (CID 2726278) is ethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccccc2)[nH]c(=O)c1C#N.
What is the InChIKey of ethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate?
The InChIKey is KJWCKDUAUSMBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-20-15(19)11-8-13(10-6-4-3-5-7-10)17-14(18)12(11)9-16/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate?
ethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-oxo-6-phenyl-1H-pyridine-4-carboxylate is sourced from PubChem (CID 2726278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).