3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile

C16H13N5 — CID 133333103

IUPAC3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile
SMILESCC(Nc1ccc2nccnc2n1)c1cccc(C#N)c1
InChIInChI=1S/C16H13N5/c1-11(13-4-2-3-12(9-13)10-17)20-15-6-5-14-16(21-15)19-8-7-18-14/h2-9,11H,1H3,(H,19,20,21)
InChIKeyGULDSFJTPHYBGK-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.07
Rot. Bonds3

About 3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile

3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile (PubChem CID 133333103) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile
PubChem CID133333103
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile
SMILESCC(Nc1ccc2nccnc2n1)c1cccc(C#N)c1
InChIInChI=1S/C16H13N5/c1-11(13-4-2-3-12(9-13)10-17)20-15-6-5-14-16(21-15)19-8-7-18-14/h2-9,11H,1H3,(H,19,20,21)
InChIKeyGULDSFJTPHYBGK-UHFFFAOYSA-N
XLogP3.07
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile
CID 133333173
6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile
CID 133333165
3-[1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 133333085
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
3-[1-(cyanomethylamino)ethyl]benzonitrile
CID 130736059
3-[1-[[6-(1,3-benzothiazol-6-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzonitrile
CID 70979611
3-[(1R)-1-[(6-methylquinazolin-4-yl)amino]ethyl]benzonitrile
CID 99812363
3-(1-hydrazinylethyl)benzonitrile
CID 63990931
3-[1-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 133333100
3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 99812367
3-[1-(2,4,6-trimethylanilino)ethyl]benzonitrile
CID 60924468
3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile
CID 43767322

Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile?
The IUPAC name of 3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile (CID 133333103) is 3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile.
What is the SMILES notation for 3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile?
The canonical SMILES for 3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile is CC(Nc1ccc2nccnc2n1)c1cccc(C#N)c1.
What is the InChIKey of 3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile?
The InChIKey is GULDSFJTPHYBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-11(13-4-2-3-12(9-13)10-17)20-15-6-5-14-16(21-15)19-8-7-18-14/h2-9,11H,1H3,(H,19,20,21).
What are the key properties of 3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile?
3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile is sourced from PubChem (CID 133333103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).