5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

C22H23N7O2 — CID 59471697

IUPAC5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESCN(C)CCCOc1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cn1
InChIInChI=1S/C22H23N7O2/c1-29(2)11-6-12-30-18-10-9-16(13-24-18)17-14-25-20(23)19(26-17)22-28-27-21(31-22)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H2,23,25)
InChIKeyYYEDCKLGNZKLSB-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.17
Rot. Bonds8

About 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (PubChem CID 59471697) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
PubChem CID59471697
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESCN(C)CCCOc1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cn1
InChIInChI=1S/C22H23N7O2/c1-29(2)11-6-12-30-18-10-9-16(13-24-18)17-14-25-20(23)19(26-17)22-28-27-21(31-22)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H2,23,25)
InChIKeyYYEDCKLGNZKLSB-UHFFFAOYSA-N
XLogP3.17
TPSA116.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The IUPAC name of 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (CID 59471697) is 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is CN(C)CCCOc1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cn1.
What is the InChIKey of 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The InChIKey is YYEDCKLGNZKLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-29(2)11-6-12-30-18-10-9-16(13-24-18)17-14-25-20(23)19(26-17)22-28-27-21(31-22)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H2,23,25).
What are the key properties of 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine has a molecular weight of 417.47 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 59471697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).