4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile

C16H17N3O — CID 80876672

IUPAC4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile
SMILESCCNc1cccc(Oc2c(C)cc(C#N)cc2C)n1
InChIInChI=1S/C16H17N3O/c1-4-18-14-6-5-7-15(19-14)20-16-11(2)8-13(10-17)9-12(16)3/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyPYFLRLTYPKJFDL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.79
Rot. Bonds4

About 4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile

4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile (PubChem CID 80876672) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile
PubChem CID80876672
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile
SMILESCCNc1cccc(Oc2c(C)cc(C#N)cc2C)n1
InChIInChI=1S/C16H17N3O/c1-4-18-14-6-5-7-15(19-14)20-16-11(2)8-13(10-17)9-12(16)3/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyPYFLRLTYPKJFDL-UHFFFAOYSA-N
XLogP3.79
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(ethylamino)-2-pyridinyl]oxy]-3-methoxybenzonitrile
CID 80863266
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine
CID 107727278
3,5-dimethyl-4-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80863050
N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine
CID 107662726
6-(3-ethoxyphenoxy)-N-ethylpyridin-2-amine
CID 80873339
6-(3-bromophenoxy)-N-ethylpyridin-2-amine
CID 80869088
6-(3,4-dichlorophenoxy)-N-ethylpyridin-2-amine
CID 80874477
N-ethyl-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridin-2-amine
CID 103176293
N-ethyl-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864399
6-(6-bromonaphthalen-2-yl)oxy-N-ethylpyridin-2-amine
CID 80865759
N-ethyl-6-propan-2-yloxypyridin-2-amine
CID 80859521
6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine
CID 80882199

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
The IUPAC name of 4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile (CID 80876672) is 4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile is CCNc1cccc(Oc2c(C)cc(C#N)cc2C)n1.
What is the InChIKey of 4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
The InChIKey is PYFLRLTYPKJFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-4-18-14-6-5-7-15(19-14)20-16-11(2)8-13(10-17)9-12(16)3/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of 4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile is sourced from PubChem (CID 80876672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).