5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one

C20H19N7O2 — CID 54674821

IUPAC5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C)c4)cnc3N)o2)cc1
InChIInChI=1S/C20H19N7O2/c1-22-9-12-3-5-13(6-4-12)19-25-26-20(29-19)17-18(21)23-10-15(24-17)14-7-8-16(28)27(2)11-14/h3-8,10-11,22H,9H2,1-2H3,(H2,21,23)
InChIKeyBDCVYNWZAHCQEP-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.86
Rot. Bonds5

About 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one

5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one (PubChem CID 54674821) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one
PubChem CID54674821
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C)c4)cnc3N)o2)cc1
InChIInChI=1S/C20H19N7O2/c1-22-9-12-3-5-13(6-4-12)19-25-26-20(29-19)17-18(21)23-10-15(24-17)14-7-8-16(28)27(2)11-14/h3-8,10-11,22H,9H2,1-2H3,(H2,21,23)
InChIKeyBDCVYNWZAHCQEP-UHFFFAOYSA-N
XLogP1.86
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one (CID 54674821) is 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C)c4)cnc3N)o2)cc1.
What is the InChIKey of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one?
The InChIKey is BDCVYNWZAHCQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-22-9-12-3-5-13(6-4-12)19-25-26-20(29-19)17-18(21)23-10-15(24-17)14-7-8-16(28)27(2)11-14/h3-8,10-11,22H,9H2,1-2H3,(H2,21,23).
What are the key properties of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one?
5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one has a molecular weight of 389.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 54674821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).