2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile

C18H20N2O2 — CID 82517833

IUPAC2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile
SMILESCC(C)Oc1ccc(-c2ccc(C#N)c(=O)n2C(C)C)cc1
InChIInChI=1S/C18H20N2O2/c1-12(2)20-17(10-7-15(11-19)18(20)21)14-5-8-16(9-6-14)22-13(3)4/h5-10,12-13H,1-4H3
InChIKeyRLERIPAZDFMDNZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.76
Rot. Bonds4

About 2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile

2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile (PubChem CID 82517833) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile
PubChem CID82517833
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile
SMILESCC(C)Oc1ccc(-c2ccc(C#N)c(=O)n2C(C)C)cc1
InChIInChI=1S/C18H20N2O2/c1-12(2)20-17(10-7-15(11-19)18(20)21)14-5-8-16(9-6-14)22-13(3)4/h5-10,12-13H,1-4H3
InChIKeyRLERIPAZDFMDNZ-UHFFFAOYSA-N
XLogP3.76
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)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

1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82519490
1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
CID 82517751
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile
CID 82445144
2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]butanoic acid
CID 82099050
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063
1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146801
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82099283
2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518268
3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82518078
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160
2-bromo-4-propan-2-yloxybenzonitrile
CID 104573950

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile (CID 82517833) is 2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile is CC(C)Oc1ccc(-c2ccc(C#N)c(=O)n2C(C)C)cc1.
What is the InChIKey of 2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile?
The InChIKey is RLERIPAZDFMDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(2)20-17(10-7-15(11-19)18(20)21)14-5-8-16(9-6-14)22-13(3)4/h5-10,12-13H,1-4H3.
What are the key properties of 2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile?
2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82517833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).