3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile

C18H12N2O — CID 78908818

IUPAC3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile
SMILESN#CC(C(=O)c1ccc2ccccc2c1)c1ccccn1
InChIInChI=1S/C18H12N2O/c19-12-16(17-7-3-4-10-20-17)18(21)15-9-8-13-5-1-2-6-14(13)11-15/h1-11,16H
InChIKeyFHODIJJTUCYFNN-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.72
Rot. Bonds3

About 3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile

3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile (PubChem CID 78908818) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile
PubChem CID78908818
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile
SMILESN#CC(C(=O)c1ccc2ccccc2c1)c1ccccn1
InChIInChI=1S/C18H12N2O/c19-12-16(17-7-3-4-10-20-17)18(21)15-9-8-13-5-1-2-6-14(13)11-15/h1-11,16H
InChIKeyFHODIJJTUCYFNN-UHFFFAOYSA-N
XLogP3.72
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 47108196
(2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile
CID 40647060
3-oxo-2-pyridin-2-yl-3-[4-(pyridin-2-ylmethoxy)phenyl]propanenitrile
CID 71988334
(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-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 71628511
3-(2,3-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 80521115
3-(5-bromo-2-iodophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 47108256
1-[4-(2-cyano-2-pyridin-2-ylacetyl)phenyl]-3-propan-2-ylurea
CID 167989528
3-[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]-3-oxo-2-pyridin-2-ylpropanenitrile
CID 4791992
(2S)-3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 2321213
3-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 84593922

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile?
The IUPAC name of 3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile (CID 78908818) is 3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile.
What is the SMILES notation for 3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile?
The canonical SMILES for 3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile is N#CC(C(=O)c1ccc2ccccc2c1)c1ccccn1.
What is the InChIKey of 3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile?
The InChIKey is FHODIJJTUCYFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c19-12-16(17-7-3-4-10-20-17)18(21)15-9-8-13-5-1-2-6-14(13)11-15/h1-11,16H.
What are the key properties of 3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile?
3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile has a molecular weight of 272.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 78908818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).