3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile

C20H15N7 — CID 137430263

IUPAC3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESCc1cnc(C)c(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C20H15N7/c1-11-10-24-12(2)17(25-11)19-18(26-16(9-21)20(22)27-19)14-5-6-15-13(8-14)4-3-7-23-15/h3-8,10H,1-2H3,(H2,22,27)
InChIKeyRHEVMZWJWHBTAO-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.22
Rot. Bonds2

About 3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile

3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile (PubChem CID 137430263) has the molecular formula C20H15N7 and a molecular weight of 353.39 g/mol. Its IUPAC name is 3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
PubChem CID137430263
Molecular FormulaC20H15N7
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESCc1cnc(C)c(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C20H15N7/c1-11-10-24-12(2)17(25-11)19-18(26-16(9-21)20(22)27-19)14-5-6-15-13(8-14)4-3-7-23-15/h3-8,10H,1-2H3,(H2,22,27)
InChIKeyRHEVMZWJWHBTAO-UHFFFAOYSA-N
XLogP3.22
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430158
3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137431828
3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430735
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 158202532
2-fluoro-3-(6-methyl-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 165020634
3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 154604788
3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile
CID 157179719
2-(3-methyl-6-quinolin-6-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 121399760
6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile
CID 154604405
4-methyl-3-quinolin-6-ylaniline
CID 81224667
N-ethyl-5,6-dimethyl-3-quinolin-6-ylpyrazin-2-amine
CID 81227648

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile (CID 137430263) is 3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile is Cc1cnc(C)c(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The InChIKey is RHEVMZWJWHBTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7/c1-11-10-24-12(2)17(25-11)19-18(26-16(9-21)20(22)27-19)14-5-6-15-13(8-14)4-3-7-23-15/h3-8,10H,1-2H3,(H2,22,27).
What are the key properties of 3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile has a molecular weight of 353.39 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 137430263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).