(2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile

C17H18N2 — CID 129384028

IUPAC(2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile
SMILESCC[C@@H](C[C@H](C#N)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H18N2/c1-2-14(15-7-4-3-5-8-15)11-17(12-18)16-9-6-10-19-13-16/h3-10,13-14,17H,2,11H2,1H3/t14-,17+/m0/s1
InChIKeyILBZZXIPMCYCOU-WMLDXEAASA-N
MW250.35 g/mol
LogP4.27
Rot. Bonds5

About (2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile

(2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile (PubChem CID 129384028) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is (2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile.

Molecular Properties

Compound Name(2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile
PubChem CID129384028
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name(2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile
SMILESCC[C@@H](C[C@H](C#N)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H18N2/c1-2-14(15-7-4-3-5-8-15)11-17(12-18)16-9-6-10-19-13-16/h3-10,13-14,17H,2,11H2,1H3/t14-,17+/m0/s1
InChIKeyILBZZXIPMCYCOU-WMLDXEAASA-N
XLogP4.27
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2-pyridin-3-ylhexanenitrile
CID 11658866
(2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile
CID 129364962
3-diphenoxyphosphanyl-2-pyridin-3-ylpropanenitrile
CID 141470962
2-(2-pyridin-3-ylbutyl)pyridine
CID 123892989
3-phenyl-3-pyridin-3-ylpropanenitrile
CID 12632111
ethane;2-phenylbutanenitrile
CID 91343198
(2S,3R)-3-methyl-4-phenyl-2-pyridin-3-ylbutanenitrile
CID 129364165
3-[(3S)-heptan-3-yl]pyridine
CID 134862290
3-(1-phenoxypropyl)pyridine
CID 57251428
3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile
CID 81405126
pyridin-3-yl 4-cyano-4-phenylbutanoate
CID 90242202
[(1S)-1-pyridin-3-ylethyl]cyanamide
CID 81405112

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile?
The IUPAC name of (2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile (CID 129384028) is (2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile.
What is the SMILES notation for (2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile?
The canonical SMILES for (2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile is CC[C@@H](C[C@H](C#N)c1cccnc1)c1ccccc1.
What is the InChIKey of (2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile?
The InChIKey is ILBZZXIPMCYCOU-WMLDXEAASA-N. The full InChI is InChI=1S/C17H18N2/c1-2-14(15-7-4-3-5-8-15)11-17(12-18)16-9-6-10-19-13-16/h3-10,13-14,17H,2,11H2,1H3/t14-,17+/m0/s1.
What are the key properties of (2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile?
(2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile has a molecular weight of 250.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-phenyl-2-pyridin-3-ylhexanenitrile is sourced from PubChem (CID 129384028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).