1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile

C17H18N2O2 — CID 82518218

IUPAC1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
SMILESCCCOc1cccc(-c2ccc(C#N)c(=O)n2CC)c1
InChIInChI=1S/C17H18N2O2/c1-3-10-21-15-7-5-6-13(11-15)16-9-8-14(12-18)17(20)19(16)4-2/h5-9,11H,3-4,10H2,1-2H3
InChIKeyCORZVKYTLHVVPE-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.20
Rot. Bonds5

About 1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile

1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile (PubChem CID 82518218) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
PubChem CID82518218
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
SMILESCCCOc1cccc(-c2ccc(C#N)c(=O)n2CC)c1
InChIInChI=1S/C17H18N2O2/c1-3-10-21-15-7-5-6-13(11-15)16-9-8-14(12-18)17(20)19(16)4-2/h5-9,11H,3-4,10H2,1-2H3
InChIKeyCORZVKYTLHVVPE-UHFFFAOYSA-N
XLogP3.20
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile 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

2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
CID 82518204
1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
CID 82099228
6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82518322
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
1-(3-cyanopropyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147729
1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 94751078
3-amino-6-(3-ethoxyphenyl)-1-ethylpyridin-2-one
CID 82467041
1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82517340
3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one
CID 82467070
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146801

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile (CID 82518218) is 1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile is CCCOc1cccc(-c2ccc(C#N)c(=O)n2CC)c1.
What is the InChIKey of 1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is CORZVKYTLHVVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-10-21-15-7-5-6-13(11-15)16-9-8-14(12-18)17(20)19(16)4-2/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile?
1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 282.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82518218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).