5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one

C15H22N4O2 — CID 62816871

IUPAC5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCN3CCCCC3C2)c1
InChIInChI=1S/C15H22N4O2/c16-12-4-5-14(20)19(9-12)11-15(21)18-8-7-17-6-2-1-3-13(17)10-18/h4-5,9,13H,1-3,6-8,10-11,16H2
InChIKeyNFLKXKDTNDHZDZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.13
Rot. Bonds2

About 5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one

5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 62816871) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one
PubChem CID62816871
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCN3CCCCC3C2)c1
InChIInChI=1S/C15H22N4O2/c16-12-4-5-14(20)19(9-12)11-15(21)18-8-7-17-6-2-1-3-13(17)10-18/h4-5,9,13H,1-3,6-8,10-11,16H2
InChIKeyNFLKXKDTNDHZDZ-UHFFFAOYSA-N
XLogP0.13
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one with MolForge

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Related Compounds

5-nitro-1-[2-oxo-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethyl]pyridin-2-one
CID 95344927
5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one
CID 55248042
5-amino-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62816686
5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 63171540
2-(5-amino-2-pyridinyl)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
CID 120645633
5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62816340
5-amino-1-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]pyridin-2-one
CID 62816359
5-amino-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62816002
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-sulfanylethanone
CID 79925171
2-(1-aminocyclobutyl)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 79854172
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 62816717
5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one
CID 106313226

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one (CID 62816871) is 5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one is Nc1ccc(=O)n(CC(=O)N2CCN3CCCCC3C2)c1.
What is the InChIKey of 5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is NFLKXKDTNDHZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-12-4-5-14(20)19(9-12)11-15(21)18-8-7-17-6-2-1-3-13(17)10-18/h4-5,9,13H,1-3,6-8,10-11,16H2.
What are the key properties of 5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one?
5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 290.37 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 62816871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).