[(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate

C20H14N2O2 — CID 51729581

IUPAC[(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)O[C@H](c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C20H14N2O2/c21-14-15-7-6-10-17(13-15)20(23)24-19(16-8-2-1-3-9-16)18-11-4-5-12-22-18/h1-13,19H/t19-/m1/s1
InChIKeyYSCSXTKZSDXOCO-LJQANCHMSA-N
MW314.34 g/mol
LogP3.90
Rot. Bonds4

About [(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate

[(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate (PubChem CID 51729581) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is [(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate.

Molecular Properties

Compound Name[(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate
PubChem CID51729581
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name[(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)O[C@H](c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C20H14N2O2/c21-14-15-7-6-10-17(13-15)20(23)24-19(16-8-2-1-3-9-16)18-11-4-5-12-22-18/h1-13,19H/t19-/m1/s1
InChIKeyYSCSXTKZSDXOCO-LJQANCHMSA-N
XLogP3.90
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate 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

[phenyl(pyridin-2-yl)methyl] 3-(dimethylamino)benzoate
CID 47020542
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate
CID 7705295
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate
CID 7705315
[(1S)-1-(1,3-thiazol-2-yl)ethyl] 3-cyanobenzoate
CID 96564318
[(2R)-1-methoxypropan-2-yl] 3-cyanobenzoate
CID 95931923
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
CID 18199101
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-cyanobenzoate
CID 8950416
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 56528329
[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate
CID 95916441
3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile
CID 43767322
[2-oxo-2-(1-phenylethylamino)ethyl] 3-cyanobenzoate
CID 18075660

Frequently Asked Questions

What is the IUPAC name of [(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate?
The IUPAC name of [(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate (CID 51729581) is [(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate.
What is the SMILES notation for [(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate?
The canonical SMILES for [(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate is N#Cc1cccc(C(=O)O[C@H](c2ccccc2)c2ccccn2)c1.
What is the InChIKey of [(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate?
The InChIKey is YSCSXTKZSDXOCO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H14N2O2/c21-14-15-7-6-10-17(13-15)20(23)24-19(16-8-2-1-3-9-16)18-11-4-5-12-22-18/h1-13,19H/t19-/m1/s1.
What are the key properties of [(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate?
[(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate has a molecular weight of 314.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate is sourced from PubChem (CID 51729581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).