(2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile

C20H14N2O2 — CID 40647060

IUPAC(2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile
SMILESN#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1ccccn1
InChIInChI=1S/C20H14N2O2/c21-14-18(19-11-4-5-12-22-19)20(23)15-7-6-10-17(13-15)24-16-8-2-1-3-9-16/h1-13,18H/t18-/m1/s1
InChIKeyIDYCRHXXEFVCCM-GOSISDBHSA-N
MW314.34 g/mol
LogP4.36
Rot. Bonds5

About (2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile

(2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile (PubChem CID 40647060) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name(2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile
PubChem CID40647060
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name(2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile
SMILESN#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1ccccn1
InChIInChI=1S/C20H14N2O2/c21-14-18(19-11-4-5-12-22-19)20(23)15-7-6-10-17(13-15)24-16-8-2-1-3-9-16/h1-13,18H/t18-/m1/s1
InChIKeyIDYCRHXXEFVCCM-GOSISDBHSA-N
XLogP4.36
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile 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

3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908818
(2S)-3-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]-3-oxo-2-pyridin-2-ylpropanenitrile
CID 40647072
(2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 94409297
3-(1,3-benzodioxol-5-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 47108196
3-oxo-2-pyridin-2-yl-3-[4-(pyridin-2-ylmethoxy)phenyl]propanenitrile
CID 71988334
3-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 84593922
N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide
CID 39915198
3-(4-methoxythiophen-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 79478763
3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 71628511
3-(2,3-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 80521115
(2S)-3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 2321213
methyl 3-cyano-2-oxo-3-pyridin-2-ylpropanoate
CID 3528141

Frequently Asked Questions

What is the IUPAC name of (2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile?
The IUPAC name of (2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile (CID 40647060) is (2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile.
What is the SMILES notation for (2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile?
The canonical SMILES for (2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile is N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1ccccn1.
What is the InChIKey of (2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile?
The InChIKey is IDYCRHXXEFVCCM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H14N2O2/c21-14-18(19-11-4-5-12-22-19)20(23)15-7-6-10-17(13-15)24-16-8-2-1-3-9-16/h1-13,18H/t18-/m1/s1.
What are the key properties of (2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile?
(2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile has a molecular weight of 314.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 40647060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).