(2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile

C21H16N2O2 — CID 94409297

IUPAC(2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
SMILESCOc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1-c1ccccc1
InChIInChI=1S/C21H16N2O2/c1-25-20-11-10-16(13-17(20)15-7-3-2-4-8-15)21(24)18(14-22)19-9-5-6-12-23-19/h2-13,18H,1H3/t18-/m0/s1
InChIKeyQDJLTGQIEZSAEQ-SFHVURJKSA-N
MW328.37 g/mol
LogP4.25
Rot. Bonds5

About (2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile

(2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile (PubChem CID 94409297) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name(2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
PubChem CID94409297
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name(2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
SMILESCOc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1-c1ccccc1
InChIInChI=1S/C21H16N2O2/c1-25-20-11-10-16(13-17(20)15-7-3-2-4-8-15)21(24)18(14-22)19-9-5-6-12-23-19/h2-13,18H,1H3/t18-/m0/s1
InChIKeyQDJLTGQIEZSAEQ-SFHVURJKSA-N
XLogP4.25
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The IUPAC name of (2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile (CID 94409297) is (2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile.
What is the SMILES notation for (2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The canonical SMILES for (2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile is COc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1-c1ccccc1.
What is the InChIKey of (2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The InChIKey is QDJLTGQIEZSAEQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-25-20-11-10-16(13-17(20)15-7-3-2-4-8-15)21(24)18(14-22)19-9-5-6-12-23-19/h2-13,18H,1H3/t18-/m0/s1.
What are the key properties of (2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
(2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile has a molecular weight of 328.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 94409297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).