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

C16H23N3O2 — CID 136513228

IUPAC3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
SMILESCCC1CN2CCCCC2CN1C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H23N3O2/c1-2-12-10-18-9-4-3-6-13(18)11-19(12)16(21)14-7-5-8-17-15(14)20/h5,7-8,12-13H,2-4,6,9-11H2,1H3,(H,17,20)
InChIKeyZUUMQEZMKVRIGC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.46
Rot. Bonds2

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

3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one (PubChem CID 136513228) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
PubChem CID136513228
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
SMILESCCC1CN2CCCCC2CN1C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H23N3O2/c1-2-12-10-18-9-4-3-6-13(18)11-19(12)16(21)14-7-5-8-17-15(14)20/h5,7-8,12-13H,2-4,6,9-11H2,1H3,(H,17,20)
InChIKeyZUUMQEZMKVRIGC-UHFFFAOYSA-N
XLogP1.46
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one (CID 136513228) is 3-(3-ethyl-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 3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one is CCC1CN2CCCCC2CN1C(=O)c1ccc[nH]c1=O.
What is the InChIKey of 3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one?
The InChIKey is ZUUMQEZMKVRIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-12-10-18-9-4-3-6-13(18)11-19(12)16(21)14-7-5-8-17-15(14)20/h5,7-8,12-13H,2-4,6,9-11H2,1H3,(H,17,20).
What are the key properties of 3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one?
3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 136513228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).