methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate

C15H12N2O3 — CID 15149452

IUPACmethyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(=O)c(C#N)c1-c1ccccc1
InChIInChI=1S/C15H12N2O3/c1-9-12(15(19)20-2)13(10-6-4-3-5-7-10)11(8-16)14(18)17-9/h3-7H,1-2H3,(H,17,18)
InChIKeyXTWZLISJYFCGDK-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.01
Rot. Bonds2

About methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate

methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate (PubChem CID 15149452) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
PubChem CID15149452
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Namemethyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(=O)c(C#N)c1-c1ccccc1
InChIInChI=1S/C15H12N2O3/c1-9-12(15(19)20-2)13(10-6-4-3-5-7-10)11(8-16)14(18)17-9/h3-7H,1-2H3,(H,17,18)
InChIKeyXTWZLISJYFCGDK-UHFFFAOYSA-N
XLogP2.01
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-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

methyl 5-cyano-6-oxo-4-phenyl-2-(pyridin-1-ium-1-ylmethyl)-1H-pyridine-3-carboxylate
CID 12990344
2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 14269650
methyl 2,5-dimethyl-4-(4-phenylphenyl)-1H-pyrrole-3-carboxylate
CID 23030382
ethyl 5-cyano-4-(4-nitrophenyl)-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 12550723
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
methyl 3-(3,5-dicyano-2-oxo-6-sulfanyl-1H-pyridin-4-yl)benzoate
CID 176980550
methyl 2-cyano-4-fluoro-6-methoxy-3-phenylbenzoate
CID 175446820
methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate
CID 164684371
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
CID 156598657
methyl 3-cyano-2-fluoro-4-phenylbenzoate
CID 170991801
diethyl 4-amino-3,5-dicyano-6-phenylbenzene-1,2-dicarboxylate
CID 102230049

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate (CID 15149452) is methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate is COC(=O)c1c(C)[nH]c(=O)c(C#N)c1-c1ccccc1.
What is the InChIKey of methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is XTWZLISJYFCGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-12(15(19)20-2)13(10-6-4-3-5-7-10)11(8-16)14(18)17-9/h3-7H,1-2H3,(H,17,18).
What are the key properties of methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate?
methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 15149452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).