5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

C21H21N7O2 — CID 59472099

IUPAC5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESCN(C)CCOc1cc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)ccn1
InChIInChI=1S/C21H21N7O2/c1-28(2)10-11-29-17-12-15(8-9-23-17)16-13-24-19(22)18(25-16)21-27-26-20(30-21)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H2,22,24)
InChIKeyQUHDFRALEBBIOJ-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.78
Rot. Bonds7

About 5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (PubChem CID 59472099) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
PubChem CID59472099
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESCN(C)CCOc1cc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)ccn1
InChIInChI=1S/C21H21N7O2/c1-28(2)10-11-29-17-12-15(8-9-23-17)16-13-24-19(22)18(25-16)21-27-26-20(30-21)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H2,22,24)
InChIKeyQUHDFRALEBBIOJ-UHFFFAOYSA-N
XLogP2.78
TPSA116.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The IUPAC name of 5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (CID 59472099) is 5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is CN(C)CCOc1cc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)ccn1.
What is the InChIKey of 5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The InChIKey is QUHDFRALEBBIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-28(2)10-11-29-17-12-15(8-9-23-17)16-13-24-19(22)18(25-16)21-27-26-20(30-21)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H2,22,24).
What are the key properties of 5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine has a molecular weight of 403.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 59472099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).