5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile

C18H15N5 — CID 133485202

IUPAC5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile
SMILESCC(Nc1cnc(C#N)cn1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C18H15N5/c1-13(23-18-12-21-17(9-19)11-22-18)14-4-6-15(7-5-14)16-3-2-8-20-10-16/h2-8,10-13H,1H3,(H,22,23)
InChIKeyNCAYUHPQFROYAZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.58
Rot. Bonds4

About 5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile

5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 133485202) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile
PubChem CID133485202
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile
SMILESCC(Nc1cnc(C#N)cn1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C18H15N5/c1-13(23-18-12-21-17(9-19)11-22-18)14-4-6-15(7-5-14)16-3-2-8-20-10-16/h2-8,10-13H,1H3,(H,22,23)
InChIKeyNCAYUHPQFROYAZ-UHFFFAOYSA-N
XLogP3.58
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 95971551
N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
CID 60967003
5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile
CID 124571734
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919
2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol
CID 135525328
2-(methylamino)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 120704866
(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol
CID 97334731
3-[1-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 133333100
methane;2-methoxy-4-[6-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazin-2-yl]phenol
CID 158200755
2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine
CID 80652605

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile (CID 133485202) is 5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile is CC(Nc1cnc(C#N)cn1)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is NCAYUHPQFROYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-13(23-18-12-21-17(9-19)11-22-18)14-4-6-15(7-5-14)16-3-2-8-20-10-16/h2-8,10-13H,1H3,(H,22,23).
What are the key properties of 5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile?
5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 301.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133485202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).