4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide

C16H30N4O — CID 79916763

IUPAC4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide
SMILESCC(CCN1CCN2CCCCC2C1)(NC1CC1)C(N)=O
InChIInChI=1S/C16H30N4O/c1-16(15(17)21,18-13-5-6-13)7-9-19-10-11-20-8-3-2-4-14(20)12-19/h13-14,18H,2-12H2,1H3,(H2,17,21)
InChIKeyFYKUKUSIYYPPMZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.54
Rot. Bonds6

About 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide (PubChem CID 79916763) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide.

Molecular Properties

Compound Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide
PubChem CID79916763
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide
SMILESCC(CCN1CCN2CCCCC2C1)(NC1CC1)C(N)=O
InChIInChI=1S/C16H30N4O/c1-16(15(17)21,18-13-5-6-13)7-9-19-10-11-20-8-3-2-4-14(20)12-19/h13-14,18H,2-12H2,1H3,(H2,17,21)
InChIKeyFYKUKUSIYYPPMZ-UHFFFAOYSA-N
XLogP0.54
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylbutanamide
CID 79935074
2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide
CID 79934820
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanamide
CID 79917010
2-amino-3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylpropanamide
CID 79935160
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(ethylamino)-2-methylbutanamide
CID 63151089
2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 79184111
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 79935358
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylbutanoic acid
CID 79936530
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 79932429
2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide
CID 63634892
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-methylpentanoic acid
CID 79945932
methyl 2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylbutanoate
CID 63151003

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide?
The IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide (CID 79916763) is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide.
What is the SMILES notation for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide?
The canonical SMILES for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide is CC(CCN1CCN2CCCCC2C1)(NC1CC1)C(N)=O.
What is the InChIKey of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide?
The InChIKey is FYKUKUSIYYPPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-16(15(17)21,18-13-5-6-13)7-9-19-10-11-20-8-3-2-4-14(20)12-19/h13-14,18H,2-12H2,1H3,(H2,17,21).
What are the key properties of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide?
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide has a molecular weight of 294.44 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide is sourced from PubChem (CID 79916763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).