3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide

C15H22N4O3 — CID 95838895

IUPAC3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide
SMILESCC(=O)N1CCO[C@H](c2cncc(CCC(=O)N(C)C)n2)C1
InChIInChI=1S/C15H22N4O3/c1-11(20)19-6-7-22-14(10-19)13-9-16-8-12(17-13)4-5-15(21)18(2)3/h8-9,14H,4-7,10H2,1-3H3/t14-/m0/s1
InChIKeyIWFMZQQXXYYWNT-AWEZNQCLSA-N
MW306.37 g/mol
LogP0.42
Rot. Bonds4

About 3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide

3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide (PubChem CID 95838895) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide
PubChem CID95838895
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide
SMILESCC(=O)N1CCO[C@H](c2cncc(CCC(=O)N(C)C)n2)C1
InChIInChI=1S/C15H22N4O3/c1-11(20)19-6-7-22-14(10-19)13-9-16-8-12(17-13)4-5-15(21)18(2)3/h8-9,14H,4-7,10H2,1-3H3/t14-/m0/s1
InChIKeyIWFMZQQXXYYWNT-AWEZNQCLSA-N
XLogP0.42
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide (CID 95838895) is 3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide is CC(=O)N1CCO[C@H](c2cncc(CCC(=O)N(C)C)n2)C1.
What is the InChIKey of 3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide?
The InChIKey is IWFMZQQXXYYWNT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11(20)19-6-7-22-14(10-19)13-9-16-8-12(17-13)4-5-15(21)18(2)3/h8-9,14H,4-7,10H2,1-3H3/t14-/m0/s1.
What are the key properties of 3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide?
3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide has a molecular weight of 306.37 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2S)-4-acetylmorpholin-2-yl]pyrazin-2-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 95838895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).