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

C15H19N3O3 — CID 79914316

IUPAC2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCOc1cc(CN2CC(=O)N3CCCCC3C2=O)ccn1
InChIInChI=1S/C15H19N3O3/c1-21-13-8-11(5-6-16-13)9-17-10-14(19)18-7-3-2-4-12(18)15(17)20/h5-6,8,12H,2-4,7,9-10H2,1H3
InChIKeyYBPUFEMAOAQETR-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.81
Rot. Bonds3

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

2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79914316) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79914316
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCOc1cc(CN2CC(=O)N3CCCCC3C2=O)ccn1
InChIInChI=1S/C15H19N3O3/c1-21-13-8-11(5-6-16-13)9-17-10-14(19)18-7-3-2-4-12(18)15(17)20/h5-6,8,12H,2-4,7,9-10H2,1H3
InChIKeyYBPUFEMAOAQETR-UHFFFAOYSA-N
XLogP0.81
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929408
2-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79924887
2-[(4-iodophenyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79938253
3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione
CID 64970023
methyl 4-[[(8aR)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate
CID 92720658
2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 80663115
2-[(2-chloro-6-methoxyphenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 103293543
2-[(4-methylphenyl)methyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79918530
2-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914409
2-[(2-fluorophenyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929487
2-[(3,6-dichloro-2-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79926084
2-[(2-methoxy-4-pyridinyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926333

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79914316) is 2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is COc1cc(CN2CC(=O)N3CCCCC3C2=O)ccn1.
What is the InChIKey of 2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is YBPUFEMAOAQETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-13-8-11(5-6-16-13)9-17-10-14(19)18-7-3-2-4-12(18)15(17)20/h5-6,8,12H,2-4,7,9-10H2,1H3.
What are the key properties of 2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 289.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79914316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).