2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile

C17H19N3O — CID 61450560

IUPAC2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile
SMILESCCN(CCOc1ccccc1C#N)Cc1ccncc1
InChIInChI=1S/C17H19N3O/c1-2-20(14-15-7-9-19-10-8-15)11-12-21-17-6-4-3-5-16(17)13-18/h3-10H,2,11-12,14H2,1H3
InChIKeyQMDIYDHJYSNURG-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.85
Rot. Bonds7

About 2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile

2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile (PubChem CID 61450560) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile
PubChem CID61450560
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile
SMILESCCN(CCOc1ccccc1C#N)Cc1ccncc1
InChIInChI=1S/C17H19N3O/c1-2-20(14-15-7-9-19-10-8-15)11-12-21-17-6-4-3-5-16(17)13-18/h3-10H,2,11-12,14H2,1H3
InChIKeyQMDIYDHJYSNURG-UHFFFAOYSA-N
XLogP2.85
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile
CID 114287930
2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 110910679
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 43564981
2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide
CID 61236356
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288965
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile
CID 43288846
2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
CID 61222956
2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 43420438
5-chloro-2-[2-(diethylamino)ethoxy]benzonitrile
CID 22685106

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile (CID 61450560) is 2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile is CCN(CCOc1ccccc1C#N)Cc1ccncc1.
What is the InChIKey of 2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile?
The InChIKey is QMDIYDHJYSNURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-20(14-15-7-9-19-10-8-15)11-12-21-17-6-4-3-5-16(17)13-18/h3-10H,2,11-12,14H2,1H3.
What are the key properties of 2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile?
2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 61450560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).