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

C14H19N3O2 — CID 103764742

IUPAC4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCN2CCCCC2C1
InChIInChI=1S/C14H19N3O2/c18-13-9-11(4-5-15-13)14(19)17-8-7-16-6-2-1-3-12(16)10-17/h4-5,9,12H,1-3,6-8,10H2,(H,15,18)
InChIKeyCSOLYTLPUOGELW-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.69
Rot. Bonds1

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

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one (PubChem CID 103764742) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
PubChem CID103764742
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCN2CCCCC2C1
InChIInChI=1S/C14H19N3O2/c18-13-9-11(4-5-15-13)14(19)17-8-7-16-6-2-1-3-12(16)10-17/h4-5,9,12H,1-3,6-8,10H2,(H,15,18)
InChIKeyCSOLYTLPUOGELW-UHFFFAOYSA-N
XLogP0.69
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(3H-benzimidazol-5-yl)methanone
CID 60960326
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998528
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763407
7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103766388
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(3,5-dibromophenyl)methanone
CID 103908312
4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 121146702
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone
CID 25060401
[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 60947643
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone
CID 136525720
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 113364846

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one (CID 103764742) is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1CCN2CCCCC2C1.
What is the InChIKey of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one?
The InChIKey is CSOLYTLPUOGELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13-9-11(4-5-15-13)14(19)17-8-7-16-6-2-1-3-12(16)10-17/h4-5,9,12H,1-3,6-8,10H2,(H,15,18).
What are the key properties of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one?
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 103764742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).