3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide

C15H25N3O3 — CID 67061150

IUPAC3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)O[C@H](O)Cc1cnc(CC(C)(C)C(N)=O)cn1
InChIInChI=1S/C15H25N3O3/c1-14(2,3)21-12(19)6-10-8-18-11(9-17-10)7-15(4,5)13(16)20/h8-9,12,19H,6-7H2,1-5H3,(H2,16,20)/t12-/m0/s1
InChIKeyOIFLJYDHEZULPS-LBPRGKRZSA-N
MW295.38 g/mol
LogP1.21
Rot. Bonds6

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

3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 67061150) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
PubChem CID67061150
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)O[C@H](O)Cc1cnc(CC(C)(C)C(N)=O)cn1
InChIInChI=1S/C15H25N3O3/c1-14(2,3)21-12(19)6-10-8-18-11(9-17-10)7-15(4,5)13(16)20/h8-9,12,19H,6-7H2,1-5H3,(H2,16,20)/t12-/m0/s1
InChIKeyOIFLJYDHEZULPS-LBPRGKRZSA-N
XLogP1.21
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide (CID 67061150) is 3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)O[C@H](O)Cc1cnc(CC(C)(C)C(N)=O)cn1.
What is the InChIKey of 3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is OIFLJYDHEZULPS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-14(2,3)21-12(19)6-10-8-18-11(9-17-10)7-15(4,5)13(16)20/h8-9,12,19H,6-7H2,1-5H3,(H2,16,20)/t12-/m0/s1.
What are the key properties of 3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide?
3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 295.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2S)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 67061150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).