2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride

C16H26Cl2N4O — CID 120647136

IUPAC2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
SMILESCC1CN2CCCCC2CN1C(=O)Cc1ccc(N)cn1.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-12-10-19-7-3-2-4-15(19)11-20(12)16(21)8-14-6-5-13(17)9-18-14;;/h5-6,9,12,15H,2-4,7-8,10-11,17H2,1H3;2*1H
InChIKeyFHFUOTTZJAYTDK-UHFFFAOYSA-N
MW361.32 g/mol
LogP2.14
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride

2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride (PubChem CID 120647136) has the molecular formula C16H26Cl2N4O and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
PubChem CID120647136
Molecular FormulaC16H26Cl2N4O
Molecular Weight361.32 g/mol
Exact Mass360.15
IUPAC Name2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
SMILESCC1CN2CCCCC2CN1C(=O)Cc1ccc(N)cn1.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-12-10-19-7-3-2-4-15(19)11-20(12)16(21)8-14-6-5-13(17)9-18-14;;/h5-6,9,12,15H,2-4,7-8,10-11,17H2,1H3;2*1H
InChIKeyFHFUOTTZJAYTDK-UHFFFAOYSA-N
XLogP2.14
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride with MolForge

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Related Compounds

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
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 120641372
methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 107337953
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107339471
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
2-(4-aminocyclohexyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 79919210
1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827
2-[4-(aminomethyl)triazol-1-yl]-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 115460124
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentane-1,4-dione
CID 79931310
(6-chloro-2-pyridinyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 78992303

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride (CID 120647136) is 2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride is CC1CN2CCCCC2CN1C(=O)Cc1ccc(N)cn1.Cl.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride?
The InChIKey is FHFUOTTZJAYTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.2ClH/c1-12-10-19-7-3-2-4-15(19)11-20(12)16(21)8-14-6-5-13(17)9-18-14;;/h5-6,9,12,15H,2-4,7-8,10-11,17H2,1H3;2*1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride?
2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride has a molecular weight of 361.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride is sourced from PubChem (CID 120647136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).