5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile

C14H11N5 — CID 133290964

IUPAC5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
SMILESCN(Cc1ccc(C#N)cc1)c1cnc(C#N)cn1
InChIInChI=1S/C14H11N5/c1-19(14-9-17-13(7-16)8-18-14)10-12-4-2-11(6-15)3-5-12/h2-5,8-9H,10H2,1H3
InChIKeyJVIDIBKVTQTOGT-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.86
Rot. Bonds3

About 5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile

5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile (PubChem CID 133290964) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
PubChem CID133290964
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
SMILESCN(Cc1ccc(C#N)cc1)c1cnc(C#N)cn1
InChIInChI=1S/C14H11N5/c1-19(14-9-17-13(7-16)8-18-14)10-12-4-2-11(6-15)3-5-12/h2-5,8-9H,10H2,1H3
InChIKeyJVIDIBKVTQTOGT-UHFFFAOYSA-N
XLogP1.86
TPSA76.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile
CID 65487650
6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile
CID 86803675
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 133431107
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 133373673
6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
CID 115142979
4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile
CID 133489486
6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133290962
4-[[ethyl(methyl)amino]methyl]benzonitrile
CID 43247494

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile (CID 133290964) is 5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile is CN(Cc1ccc(C#N)cc1)c1cnc(C#N)cn1.
What is the InChIKey of 5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile?
The InChIKey is JVIDIBKVTQTOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-19(14-9-17-13(7-16)8-18-14)10-12-4-2-11(6-15)3-5-12/h2-5,8-9H,10H2,1H3.
What are the key properties of 5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile?
5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133290964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).