3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile

C19H17N5 — CID 133283837

IUPAC3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile
SMILESCN(Cc1ccccc1)c1ccc(Nc2nccnc2C#N)cc1
InChIInChI=1S/C19H17N5/c1-24(14-15-5-3-2-4-6-15)17-9-7-16(8-10-17)23-19-18(13-20)21-11-12-22-19/h2-12H,14H2,1H3,(H,22,23)
InChIKeyOAOYBVRPBYHXIY-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.73
Rot. Bonds5

About 3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile

3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile (PubChem CID 133283837) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile
PubChem CID133283837
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile
SMILESCN(Cc1ccccc1)c1ccc(Nc2nccnc2C#N)cc1
InChIInChI=1S/C19H17N5/c1-24(14-15-5-3-2-4-6-15)17-9-7-16(8-10-17)23-19-18(13-20)21-11-12-22-19/h2-12H,14H2,1H3,(H,22,23)
InChIKeyOAOYBVRPBYHXIY-UHFFFAOYSA-N
XLogP3.73
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate
CID 133284152
3-(4-butylanilino)pyrazine-2-carbonitrile
CID 60620244
3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile
CID 133398030
3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile
CID 62683507
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
CID 113346577
3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile
CID 133283214
3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
CID 62683175
3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile
CID 133284985
N-benzyl-N-methyl-4-pyridin-4-ylaniline
CID 23466191
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
3-[methyl-[(4-methylphenyl)methyl]amino]pyrazine-2-carbonitrile
CID 62683839
3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile
CID 83016253

Frequently Asked Questions

What is the IUPAC name of 3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile (CID 133283837) is 3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile is CN(Cc1ccccc1)c1ccc(Nc2nccnc2C#N)cc1.
What is the InChIKey of 3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile?
The InChIKey is OAOYBVRPBYHXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-24(14-15-5-3-2-4-6-15)17-9-7-16(8-10-17)23-19-18(13-20)21-11-12-22-19/h2-12H,14H2,1H3,(H,22,23).
What are the key properties of 3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile?
3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133283837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).