3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C15H19N3O2 — CID 79932394

IUPAC3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCc1ncccc1N1C(=O)C2CCCCN2C(=O)C1C
InChIInChI=1S/C15H19N3O2/c1-10-12(7-5-8-16-10)18-11(2)14(19)17-9-4-3-6-13(17)15(18)20/h5,7-8,11,13H,3-4,6,9H2,1-2H3
InChIKeyVPFLVQBQPVAHQW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.51
Rot. Bonds1

About 3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79932394) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79932394
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCc1ncccc1N1C(=O)C2CCCCN2C(=O)C1C
InChIInChI=1S/C15H19N3O2/c1-10-12(7-5-8-16-10)18-11(2)14(19)17-9-4-3-6-13(17)15(18)20/h5,7-8,11,13H,3-4,6,9H2,1-2H3
InChIKeyVPFLVQBQPVAHQW-UHFFFAOYSA-N
XLogP1.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79932394) is 3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is Cc1ncccc1N1C(=O)C2CCCCN2C(=O)C1C.
What is the InChIKey of 3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is VPFLVQBQPVAHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-12(7-5-8-16-10)18-11(2)14(19)17-9-4-3-6-13(17)15(18)20/h5,7-8,11,13H,3-4,6,9H2,1-2H3.
What are the key properties of 3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 273.34 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79932394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).