4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile

C18H20N2O — CID 63511383

IUPAC4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile
SMILESCc1ccc(C(C)C)c(Oc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C18H20N2O/c1-11(2)15-7-6-12(3)8-17(15)21-18-16(10-19)13(4)9-14(5)20-18/h6-9,11H,1-5H3
InChIKeyAOMIECPZYXWTSU-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.79
Rot. Bonds3

About 4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile

4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile (PubChem CID 63511383) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile
PubChem CID63511383
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile
SMILESCc1ccc(C(C)C)c(Oc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C18H20N2O/c1-11(2)15-7-6-12(3)8-17(15)21-18-16(10-19)13(4)9-14(5)20-18/h6-9,11H,1-5H3
InChIKeyAOMIECPZYXWTSU-UHFFFAOYSA-N
XLogP4.79
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 115401805
[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 61176130
[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256294
6-methyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 79021239
3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile
CID 80510004
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60699117
4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile
CID 63649827
2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175739
2-(3,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60710655
2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175544
5-amino-2-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
CID 61296742
4-bromo-2-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
CID 114902358

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile (CID 63511383) is 4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile is Cc1ccc(C(C)C)c(Oc2nc(C)cc(C)c2C#N)c1.
What is the InChIKey of 4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile?
The InChIKey is AOMIECPZYXWTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11(2)15-7-6-12(3)8-17(15)21-18-16(10-19)13(4)9-14(5)20-18/h6-9,11H,1-5H3.
What are the key properties of 4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile?
4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 63511383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).