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

C11H19N3O2 — CID 169492740

IUPAC3-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide
SMILESCC(C)CC1=CN[C@@H](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)/t9-/m0/s1
InChIKeyVBSSYYRKWADWMM-VIFPVBQESA-N
MW225.29 g/mol
LogP0.23
Rot. Bonds5

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

3-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide (PubChem CID 169492740) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name3-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide
PubChem CID169492740
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide
SMILESCC(C)CC1=CN[C@@H](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)/t9-/m0/s1
InChIKeyVBSSYYRKWADWMM-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide?
The IUPAC name of 3-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide (CID 169492740) is 3-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide.
What is the SMILES notation for 3-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide?
The canonical SMILES for 3-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide is CC(C)CC1=CN[C@@H](CCC(N)=O)C(=O)N1.
What is the InChIKey of 3-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide?
The InChIKey is VBSSYYRKWADWMM-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of 3-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide?
3-[(2S)-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-[(2S)-5-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-pyrazin-2-yl]propanamide is sourced from PubChem (CID 169492740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).