3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide

C13H18N4O3 — CID 110267977

IUPAC3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide
SMILESCC(=O)N1CCOC(c2cncc(CCC(N)=O)n2)C1
InChIInChI=1S/C13H18N4O3/c1-9(18)17-4-5-20-12(8-17)11-7-15-6-10(16-11)2-3-13(14)19/h6-7,12H,2-5,8H2,1H3,(H2,14,19)
InChIKeyHULHHJFUTWRQGE-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.19
Rot. Bonds4

About 3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide

3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide (PubChem CID 110267977) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide
PubChem CID110267977
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide
SMILESCC(=O)N1CCOC(c2cncc(CCC(N)=O)n2)C1
InChIInChI=1S/C13H18N4O3/c1-9(18)17-4-5-20-12(8-17)11-7-15-6-10(16-11)2-3-13(14)19/h6-7,12H,2-5,8H2,1H3,(H2,14,19)
InChIKeyHULHHJFUTWRQGE-UHFFFAOYSA-N
XLogP-0.19
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide?
The IUPAC name of 3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide (CID 110267977) is 3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide.
What is the SMILES notation for 3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide?
The canonical SMILES for 3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide is CC(=O)N1CCOC(c2cncc(CCC(N)=O)n2)C1.
What is the InChIKey of 3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide?
The InChIKey is HULHHJFUTWRQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9(18)17-4-5-20-12(8-17)11-7-15-6-10(16-11)2-3-13(14)19/h6-7,12H,2-5,8H2,1H3,(H2,14,19).
What are the key properties of 3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide?
3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide has a molecular weight of 278.31 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-acetylmorpholin-2-yl)pyrazin-2-yl]propanamide is sourced from PubChem (CID 110267977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).