3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide

C11H17N3O3 — CID 69356577

IUPAC3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide
SMILESCOC(C)(OC)c1cnc(CCC(N)=O)cn1
InChIInChI=1S/C11H17N3O3/c1-11(16-2,17-3)9-7-13-8(6-14-9)4-5-10(12)15/h6-7H,4-5H2,1-3H3,(H2,12,15)
InChIKeyALZUHKXRZUNSEF-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.36
Rot. Bonds6

About 3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide

3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide (PubChem CID 69356577) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide
PubChem CID69356577
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide
SMILESCOC(C)(OC)c1cnc(CCC(N)=O)cn1
InChIInChI=1S/C11H17N3O3/c1-11(16-2,17-3)9-7-13-8(6-14-9)4-5-10(12)15/h6-7H,4-5H2,1-3H3,(H2,12,15)
InChIKeyALZUHKXRZUNSEF-UHFFFAOYSA-N
XLogP0.36
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
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-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide?
The IUPAC name of 3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide (CID 69356577) is 3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide.
What is the SMILES notation for 3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide?
The canonical SMILES for 3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide is COC(C)(OC)c1cnc(CCC(N)=O)cn1.
What is the InChIKey of 3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide?
The InChIKey is ALZUHKXRZUNSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(16-2,17-3)9-7-13-8(6-14-9)4-5-10(12)15/h6-7H,4-5H2,1-3H3,(H2,12,15).
What are the key properties of 3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide?
3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide has a molecular weight of 239.27 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,1-dimethoxyethyl)pyrazin-2-yl]propanamide is sourced from PubChem (CID 69356577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).