2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile

C16H17N3 — CID 64536611

IUPAC2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile
SMILESCC(NCC(C#N)c1ccccc1)c1ccncc1
InChIInChI=1S/C16H17N3/c1-13(14-7-9-18-10-8-14)19-12-16(11-17)15-5-3-2-4-6-15/h2-10,13,16,19H,12H2,1H3
InChIKeyCRBFETBERCXJAF-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.04
Rot. Bonds5

About 2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile

2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile (PubChem CID 64536611) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile.

Molecular Properties

Compound Name2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile
PubChem CID64536611
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile
SMILESCC(NCC(C#N)c1ccccc1)c1ccncc1
InChIInChI=1S/C16H17N3/c1-13(14-7-9-18-10-8-14)19-12-16(11-17)15-5-3-2-4-6-15/h2-10,13,16,19H,12H2,1H3
InChIKeyCRBFETBERCXJAF-UHFFFAOYSA-N
XLogP3.04
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81368483
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81365300
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
CID 107876315
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81355239
3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile
CID 64535813
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
3-(1,3-dihydroxypropan-2-ylamino)-2-phenylpropanenitrile
CID 65313203
3-(tert-butylamino)-2-phenylpropanenitrile
CID 64536204
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
2-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzonitrile
CID 107935975
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-phenylpropanenitrile
CID 64538244

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile?
The IUPAC name of 2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile (CID 64536611) is 2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile.
What is the SMILES notation for 2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile?
The canonical SMILES for 2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile is CC(NCC(C#N)c1ccccc1)c1ccncc1.
What is the InChIKey of 2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile?
The InChIKey is CRBFETBERCXJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-13(14-7-9-18-10-8-14)19-12-16(11-17)15-5-3-2-4-6-15/h2-10,13,16,19H,12H2,1H3.
What are the key properties of 2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile?
2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile has a molecular weight of 251.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile is sourced from PubChem (CID 64536611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).