3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one

C18H20N4O — CID 3088400

IUPAC3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one
SMILESCN(C)CCn1c(=O)c(Cc2ccccc2)nc2cnccc21
InChIInChI=1S/C18H20N4O/c1-21(2)10-11-22-17-8-9-19-13-16(17)20-15(18(22)23)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3
InChIKeyHCXLKGAKZOEOHD-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.94
Rot. Bonds5

About 3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one

3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one (PubChem CID 3088400) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one
PubChem CID3088400
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one
SMILESCN(C)CCn1c(=O)c(Cc2ccccc2)nc2cnccc21
InChIInChI=1S/C18H20N4O/c1-21(2)10-11-22-17-8-9-19-13-16(17)20-15(18(22)23)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3
InChIKeyHCXLKGAKZOEOHD-UHFFFAOYSA-N
XLogP1.94
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one (CID 3088400) is 3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one is CN(C)CCn1c(=O)c(Cc2ccccc2)nc2cnccc21.
What is the InChIKey of 3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one?
The InChIKey is HCXLKGAKZOEOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21(2)10-11-22-17-8-9-19-13-16(17)20-15(18(22)23)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3.
What are the key properties of 3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one?
3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one has a molecular weight of 308.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 3088400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).