3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile

C17H19N3O — CID 107658698

IUPAC3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile
SMILESCCNC(C)c1ccnc(Oc2cc(C#N)ccc2C)c1
InChIInChI=1S/C17H19N3O/c1-4-19-13(3)15-7-8-20-17(10-15)21-16-9-14(11-18)6-5-12(16)2/h5-10,13,19H,4H2,1-3H3
InChIKeyUZWBHTSQHIXHJT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.72
Rot. Bonds5

About 3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile

3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile (PubChem CID 107658698) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile
PubChem CID107658698
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile
SMILESCCNC(C)c1ccnc(Oc2cc(C#N)ccc2C)c1
InChIInChI=1S/C17H19N3O/c1-4-19-13(3)15-7-8-20-17(10-15)21-16-9-14(11-18)6-5-12(16)2/h5-10,13,19H,4H2,1-3H3
InChIKeyUZWBHTSQHIXHJT-UHFFFAOYSA-N
XLogP3.72
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[2-(propan-2-ylamino)ethoxy]benzonitrile
CID 107658267
4-methyl-3-pyrimidin-2-yloxybenzonitrile
CID 70098309
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862
3-(6-chloropyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107657769
3-[3-(ethylamino)-2-methylpropoxy]-4-methylbenzonitrile
CID 107659675
4-methyl-3-[3-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 107658671
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethanamine
CID 106447924
N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine
CID 106597435
3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662566
4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile
CID 43285566
N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62323489
CID 59749252
CID 59749252

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile?
The IUPAC name of 3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile (CID 107658698) is 3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile.
What is the SMILES notation for 3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile?
The canonical SMILES for 3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile is CCNC(C)c1ccnc(Oc2cc(C#N)ccc2C)c1.
What is the InChIKey of 3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile?
The InChIKey is UZWBHTSQHIXHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-19-13(3)15-7-8-20-17(10-15)21-16-9-14(11-18)6-5-12(16)2/h5-10,13,19H,4H2,1-3H3.
What are the key properties of 3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile?
3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile is sourced from PubChem (CID 107658698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).