3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide

C11H19N3O2 — CID 139589551

IUPAC3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide
SMILESCC(C)CC1=CNC(CCC(N)=O)C(=O)N1
InChIInChI=1S/C11H19N3O2/c1-7(2)5-8-6-13-9(11(16)14-8)3-4-10(12)15/h6-7,9,13H,3-5H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyVBSSYYRKWADWMM-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.23
Rot. Bonds5

About 3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide

3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide (PubChem CID 139589551) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide
PubChem CID139589551
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide
SMILESCC(C)CC1=CNC(CCC(N)=O)C(=O)N1
InChIInChI=1S/C11H19N3O2/c1-7(2)5-8-6-13-9(11(16)14-8)3-4-10(12)15/h6-7,9,13H,3-5H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyVBSSYYRKWADWMM-UHFFFAOYSA-N
XLogP0.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide
CID 169492740
2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide
CID 58276799
(2S)-N-[(E)-5-acetamidopent-1-enyl]-2-amino-4-methylpentanamide
CID 60006389
3,6-Di(butan-2-yl)-5-methylidenepiperazin-2-one
CID 70648150
(2R)-N-[(E)-5-acetamidopent-1-enyl]-2-amino-4-methylpentanamide
CID 88001691
(2S)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide
CID 90881300
(2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide
CID 91323391
N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 139516962
2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide
CID 143986843
(2R)-2-[[(E)-5-acetamidopent-1-enyl]amino]-4-methylpentanamide
CID 145783525
3-(Ethylamino)-6-methylidenepiperidin-2-one
CID 164923084
3-(4-Methylpent-4-en-2-ylamino)piperidine-2,6-dione
CID 167118928

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide?
The IUPAC name of 3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide (CID 139589551) is 3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide.
What is the SMILES notation for 3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide?
The canonical SMILES for 3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide is CC(C)CC1=CNC(CCC(N)=O)C(=O)N1.
What is the InChIKey of 3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide?
The InChIKey is VBSSYYRKWADWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)5-8-6-13-9(11(16)14-8)3-4-10(12)15/h6-7,9,13H,3-5H2,1-2H3,(H2,12,15)(H,14,16).
What are the key properties of 3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide?
3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide is sourced from PubChem (CID 139589551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).