2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile

C17H19N3O — CID 60913069

IUPAC2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile
SMILESCC(NCCc1cccnc1)c1ccc(OCC#N)cc1
InChIInChI=1S/C17H19N3O/c1-14(20-11-8-15-3-2-10-19-13-15)16-4-6-17(7-5-16)21-12-9-18/h2-7,10,13-14,20H,8,11-12H2,1H3
InChIKeyCIDZTWBDOIHYOY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.88
Rot. Bonds7

About 2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile

2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile (PubChem CID 60913069) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile
PubChem CID60913069
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile
SMILESCC(NCCc1cccnc1)c1ccc(OCC#N)cc1
InChIInChI=1S/C17H19N3O/c1-14(20-11-8-15-3-2-10-19-13-15)16-4-6-17(7-5-16)21-12-9-18/h2-7,10,13-14,20H,8,11-12H2,1H3
InChIKeyCIDZTWBDOIHYOY-UHFFFAOYSA-N
XLogP2.88
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
2-[4-[1-(3-aminopropylamino)ethyl]phenoxy]acetonitrile
CID 55021387
2-[4-[1-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]phenoxy]acetonitrile
CID 81395331
2-[4-[1-(octylamino)ethyl]phenoxy]acetonitrile
CID 115566869
2-[4-[1-(pent-4-enylamino)ethyl]phenoxy]acetonitrile
CID 113350674
3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95276770
2-[4-[1-(1-phenylethylamino)ethyl]phenoxy]acetonitrile
CID 43755916
4-[1-[4-(cyanomethoxy)phenyl]ethylamino]butanoic acid
CID 60782816
1-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 86875382
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
2-[[[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95567478
1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 55170164

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile (CID 60913069) is 2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile is CC(NCCc1cccnc1)c1ccc(OCC#N)cc1.
What is the InChIKey of 2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile?
The InChIKey is CIDZTWBDOIHYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-14(20-11-8-15-3-2-10-19-13-15)16-4-6-17(7-5-16)21-12-9-18/h2-7,10,13-14,20H,8,11-12H2,1H3.
What are the key properties of 2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile?
2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile is sourced from PubChem (CID 60913069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).