4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one

C15H21N3O2 — CID 115323586

IUPAC4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one
SMILESCCC1CCC2(CC1)Nc1nc(OC)ccc1NC2=O
InChIInChI=1S/C15H21N3O2/c1-3-10-6-8-15(9-7-10)14(19)16-11-4-5-12(20-2)17-13(11)18-15/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYOABOTVPANAMCD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.79
Rot. Bonds2

About 4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one

4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one (PubChem CID 115323586) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one
PubChem CID115323586
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one
SMILESCCC1CCC2(CC1)Nc1nc(OC)ccc1NC2=O
InChIInChI=1S/C15H21N3O2/c1-3-10-6-8-15(9-7-10)14(19)16-11-4-5-12(20-2)17-13(11)18-15/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYOABOTVPANAMCD-UHFFFAOYSA-N
XLogP2.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one?
The IUPAC name of 4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one (CID 115323586) is 4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one?
The canonical SMILES for 4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one is CCC1CCC2(CC1)Nc1nc(OC)ccc1NC2=O.
What is the InChIKey of 4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one?
The InChIKey is YOABOTVPANAMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-10-6-8-15(9-7-10)14(19)16-11-4-5-12(20-2)17-13(11)18-15/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one?
4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 115323586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).