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

C15H15N3 — CID 43722276

IUPAC2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile
SMILESCC(Nc1ccc(CC#N)cc1)c1cccnc1
InChIInChI=1S/C15H15N3/c1-12(14-3-2-10-17-11-14)18-15-6-4-13(5-7-15)8-9-16/h2-7,10-12,18H,8H2,1H3
InChIKeyYEJMPPIOTDBKRX-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.32
Rot. Bonds4

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

2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile (PubChem CID 43722276) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile
PubChem CID43722276
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile
SMILESCC(Nc1ccc(CC#N)cc1)c1cccnc1
InChIInChI=1S/C15H15N3/c1-12(14-3-2-10-17-11-14)18-15-6-4-13(5-7-15)8-9-16/h2-7,10-12,18H,8H2,1H3
InChIKeyYEJMPPIOTDBKRX-UHFFFAOYSA-N
XLogP3.32
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-pyridin-4-ylethylamino)phenyl]acetonitrile
CID 43722275
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
2-[4-[1-(4-chlorophenyl)ethylamino]phenyl]acetonitrile
CID 43722208
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
[(1S)-1-pyridin-3-ylethyl]cyanamide
CID 81405112
N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 43683661
2-[4-(3-methylbutan-2-ylamino)phenyl]acetonitrile
CID 43722269
3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 115377049
3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
CID 62810175
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile
CID 81405126
2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile
CID 43722297

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile (CID 43722276) is 2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile is CC(Nc1ccc(CC#N)cc1)c1cccnc1.
What is the InChIKey of 2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile?
The InChIKey is YEJMPPIOTDBKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-12(14-3-2-10-17-11-14)18-15-6-4-13(5-7-15)8-9-16/h2-7,10-12,18H,8H2,1H3.
What are the key properties of 2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile?
2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile is sourced from PubChem (CID 43722276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).