4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile

C16H17N3O — CID 81061272

IUPAC4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Oc2cccc(N(C)C)c2)c(C#N)c(C)n1
InChIInChI=1S/C16H17N3O/c1-11-8-16(15(10-17)12(2)18-11)20-14-7-5-6-13(9-14)19(3)4/h5-9H,1-4H3
InChIKeyIRDWRIPQWYJAGZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.43
Rot. Bonds3

About 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile

4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81061272) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81061272
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Oc2cccc(N(C)C)c2)c(C#N)c(C)n1
InChIInChI=1S/C16H17N3O/c1-11-8-16(15(10-17)12(2)18-11)20-14-7-5-6-13(9-14)19(3)4/h5-9H,1-4H3
InChIKeyIRDWRIPQWYJAGZ-UHFFFAOYSA-N
XLogP3.43
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile
CID 79512940
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036917
4-(3-bromo-4-fluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile
CID 83232543
4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile
CID 103202003
2-amino-3-[3-(dimethylamino)phenoxy]benzonitrile
CID 104717231
3-[3-(dimethylamino)phenoxy]benzonitrile
CID 102818049
2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 62002636
2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile
CID 81060623
2-[3-(dimethylamino)phenoxy]-4-methylaniline
CID 26189579
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile
CID 103174694
3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251021
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile (CID 81061272) is 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(Oc2cccc(N(C)C)c2)c(C#N)c(C)n1.
What is the InChIKey of 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is IRDWRIPQWYJAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-8-16(15(10-17)12(2)18-11)20-14-7-5-6-13(9-14)19(3)4/h5-9H,1-4H3.
What are the key properties of 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile?
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81061272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).