2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile

C18H20N2O2 — CID 82518204

IUPAC2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
SMILESCCCOc1cccc(-c2ccc(C#N)c(=O)n2CCC)c1
InChIInChI=1S/C18H20N2O2/c1-3-10-20-17(9-8-15(13-19)18(20)21)14-6-5-7-16(12-14)22-11-4-2/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyQPSALEPHYWFWSC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.59
Rot. Bonds6

About 2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile

2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile (PubChem CID 82518204) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
PubChem CID82518204
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
SMILESCCCOc1cccc(-c2ccc(C#N)c(=O)n2CCC)c1
InChIInChI=1S/C18H20N2O2/c1-3-10-20-17(9-8-15(13-19)18(20)21)14-6-5-7-16(12-14)22-11-4-2/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyQPSALEPHYWFWSC-UHFFFAOYSA-N
XLogP3.59
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile (CID 82518204) is 2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile is CCCOc1cccc(-c2ccc(C#N)c(=O)n2CCC)c1.
What is the InChIKey of 2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile?
The InChIKey is QPSALEPHYWFWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-10-20-17(9-8-15(13-19)18(20)21)14-6-5-7-16(12-14)22-11-4-2/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of 2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile?
2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 82518204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).