[5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten

C13H19N4O2W- — CID 59948010

IUPAC[5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten
SMILESCc1nc([NH-])c(=O)n(CC(=O)N2CCCCC2)c1C.[W]
InChIInChI=1S/C13H19N4O2.W/c1-9-10(2)17(13(19)12(14)15-9)8-11(18)16-6-4-3-5-7-16;/h3-8H2,1-2H3,(H-,14,15);/q-1;
InChIKeyPXCFATFJWXIGIV-UHFFFAOYSA-N
MW447.16 g/mol
LogP1.55
Rot. Bonds2

About [5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten

[5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten (PubChem CID 59948010) has the molecular formula C13H19N4O2W- and a molecular weight of 447.16 g/mol. Its IUPAC name is [5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten.

Molecular Properties

Compound Name[5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten
PubChem CID59948010
Molecular FormulaC13H19N4O2W-
Molecular Weight447.16 g/mol
Exact Mass447.10
IUPAC Name[5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten
SMILESCc1nc([NH-])c(=O)n(CC(=O)N2CCCCC2)c1C.[W]
InChIInChI=1S/C13H19N4O2.W/c1-9-10(2)17(13(19)12(14)15-9)8-11(18)16-6-4-3-5-7-16;/h3-8H2,1-2H3,(H-,14,15);/q-1;
InChIKeyPXCFATFJWXIGIV-UHFFFAOYSA-N
XLogP1.55
TPSA79.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.16
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-3-piperidin-1-yl-1H-pyrazin-2-one
CID 91052645
3-Amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one
CID 23559314

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten?
The IUPAC name of [5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten (CID 59948010) is [5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten.
What is the SMILES notation for [5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten?
The canonical SMILES for [5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten is Cc1nc([NH-])c(=O)n(CC(=O)N2CCCCC2)c1C.[W].
What is the InChIKey of [5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten?
The InChIKey is PXCFATFJWXIGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N4O2.W/c1-9-10(2)17(13(19)12(14)15-9)8-11(18)16-6-4-3-5-7-16;/h3-8H2,1-2H3,(H-,14,15);/q-1;.
What are the key properties of [5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten?
[5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten has a molecular weight of 447.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten is sourced from PubChem (CID 59948010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).