3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one

C15H21N3O2 — CID 128952319

IUPAC3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCN3CCCCC3C2)c(=O)[nH]1
InChIInChI=1S/C15H21N3O2/c1-11-5-6-13(14(19)16-11)15(20)18-9-8-17-7-3-2-4-12(17)10-18/h5-6,12H,2-4,7-10H2,1H3,(H,16,19)
InChIKeyNBUCPXRCRIJGBQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.99
Rot. Bonds1

About 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one (PubChem CID 128952319) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one
PubChem CID128952319
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCN3CCCCC3C2)c(=O)[nH]1
InChIInChI=1S/C15H21N3O2/c1-11-5-6-13(14(19)16-11)15(20)18-9-8-17-7-3-2-4-12(17)10-18/h5-6,12H,2-4,7-10H2,1H3,(H,16,19)
InChIKeyNBUCPXRCRIJGBQ-UHFFFAOYSA-N
XLogP0.99
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one with MolForge

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Related Compounds

3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86768773
3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95977450
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(4-hydroxy-2-methylphenyl)methanone
CID 103863739
1-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867890
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-hydroxy-3-methylphenyl)methanone
CID 78980075
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976185
6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one
CID 167852243
6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 115584285
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 115696691
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 103764742

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one (CID 128952319) is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCN3CCCCC3C2)c(=O)[nH]1.
What is the InChIKey of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is NBUCPXRCRIJGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-5-6-13(14(19)16-11)15(20)18-9-8-17-7-3-2-4-12(17)10-18/h5-6,12H,2-4,7-10H2,1H3,(H,16,19).
What are the key properties of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one?
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 128952319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).