3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide

C13H21N3O4 — CID 67036565

IUPAC3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
SMILESCOCOC[C@@H](O)c1cnc(CC(C)(C)C(N)=O)cn1
InChIInChI=1S/C13H21N3O4/c1-13(2,12(14)18)4-9-5-16-10(6-15-9)11(17)7-20-8-19-3/h5-6,11,17H,4,7-8H2,1-3H3,(H2,14,18)/t11-/m1/s1
InChIKeyKVZIBXTXSLSJJX-LLVKDONJSA-N
MW283.33 g/mol
LogP0.18
Rot. Bonds8

About 3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide

3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 67036565) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
PubChem CID67036565
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
SMILESCOCOC[C@@H](O)c1cnc(CC(C)(C)C(N)=O)cn1
InChIInChI=1S/C13H21N3O4/c1-13(2,12(14)18)4-9-5-16-10(6-15-9)11(17)7-20-8-19-3/h5-6,11,17H,4,7-8H2,1-3H3,(H2,14,18)/t11-/m1/s1
InChIKeyKVZIBXTXSLSJJX-LLVKDONJSA-N
XLogP0.18
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-3,3-dimethylbutan-2-one
CID 58174292
1-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-3,3-dimethylbutan-2-one
CID 58174294
1-[5-[(1S)-1-hydroxy-2-(oxan-2-yloxy)ethyl]pyrazin-2-yl]-3,3-dimethylbutan-2-one
CID 58174295
1-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-3,3-dimethylbutan-2-one
CID 58174296
3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide
CID 66893980
3-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
CID 67036556
3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
CID 67036605
3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
CID 67061150
3-[5-(1,2-Dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide
CID 77249881
2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide
CID 140510137
2-Methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol
CID 116713265
2,3-Dihydroxy-3-(6-methylpyrazin-2-yl)propanamide
CID 171867618

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide (CID 67036565) is 3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide is COCOC[C@@H](O)c1cnc(CC(C)(C)C(N)=O)cn1.
What is the InChIKey of 3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is KVZIBXTXSLSJJX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-13(2,12(14)18)4-9-5-16-10(6-15-9)11(17)7-20-8-19-3/h5-6,11,17H,4,7-8H2,1-3H3,(H2,14,18)/t11-/m1/s1.
What are the key properties of 3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide?
3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S)-1-hydroxy-2-(methoxymethoxy)ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 67036565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).