3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile

C16H17N3 — CID 43767322

IUPAC3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile
SMILESCC(NC(C)c1ccccn1)c1cccc(C#N)c1
InChIInChI=1S/C16H17N3/c1-12(15-7-5-6-14(10-15)11-17)19-13(2)16-8-3-4-9-18-16/h3-10,12-13,19H,1-2H3
InChIKeyKIJGHTZABHMZIX-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.37
Rot. Bonds4

About 3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile

3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile (PubChem CID 43767322) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile
PubChem CID43767322
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile
SMILESCC(NC(C)c1ccccn1)c1cccc(C#N)c1
InChIInChI=1S/C16H17N3/c1-12(15-7-5-6-14(10-15)11-17)19-13(2)16-8-3-4-9-18-16/h3-10,12-13,19H,1-2H3
InChIKeyKIJGHTZABHMZIX-UHFFFAOYSA-N
XLogP3.37
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-phenylethylamino)ethyl]benzonitrile
CID 43755971
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
3-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81364071
3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile
CID 43791627
3-[1-[[(1R)-1-(3-bromophenyl)ethyl]amino]ethyl]benzonitrile
CID 81382624
2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile
CID 81393551
3-[2-[[(1S)-1-pyridin-2-ylethyl]amino]ethoxy]benzonitrile
CID 124615747
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]benzonitrile
CID 81367263
3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile
CID 60929772

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile?
The IUPAC name of 3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile (CID 43767322) is 3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile.
What is the SMILES notation for 3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile?
The canonical SMILES for 3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile is CC(NC(C)c1ccccn1)c1cccc(C#N)c1.
What is the InChIKey of 3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile?
The InChIKey is KIJGHTZABHMZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12(15-7-5-6-14(10-15)11-17)19-13(2)16-8-3-4-9-18-16/h3-10,12-13,19H,1-2H3.
What are the key properties of 3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile?
3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile is sourced from PubChem (CID 43767322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).