4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile

C22H21N9O — CID 59472030

IUPAC4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile
SMILESCN(C)CCNc1nccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)c1C#N
InChIInChI=1S/C22H21N9O/c1-31(2)11-10-26-20-16(12-23)15(8-9-25-20)17-13-27-19(24)18(28-17)22-30-29-21(32-22)14-6-4-3-5-7-14/h3-9,13H,10-11H2,1-2H3,(H2,24,27)(H,25,26)
InChIKeyXJPRMOOUWLCAAC-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.68
Rot. Bonds7

About 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile

4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile (PubChem CID 59472030) has the molecular formula C22H21N9O and a molecular weight of 427.47 g/mol. Its IUPAC name is 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile
PubChem CID59472030
Molecular FormulaC22H21N9O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile
SMILESCN(C)CCNc1nccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)c1C#N
InChIInChI=1S/C22H21N9O/c1-31(2)11-10-26-20-16(12-23)15(8-9-25-20)17-13-27-19(24)18(28-17)22-30-29-21(32-22)14-6-4-3-5-7-14/h3-9,13H,10-11H2,1-2H3,(H2,24,27)(H,25,26)
InChIKeyXJPRMOOUWLCAAC-UHFFFAOYSA-N
XLogP2.68
TPSA142.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile (CID 59472030) is 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile is CN(C)CCNc1nccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)c1C#N.
What is the InChIKey of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile?
The InChIKey is XJPRMOOUWLCAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O/c1-31(2)11-10-26-20-16(12-23)15(8-9-25-20)17-13-27-19(24)18(28-17)22-30-29-21(32-22)14-6-4-3-5-7-14/h3-9,13H,10-11H2,1-2H3,(H2,24,27)(H,25,26).
What are the key properties of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile?
4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile has a molecular weight of 427.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-[2-(dimethylamino)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 59472030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).