4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide

C11H13F3N4O2 — CID 24865978

IUPAC4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide
SMILESNC(=O)CCCN(C(=O)CC(F)(F)F)c1cnccn1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)6-10(20)18(5-1-2-8(15)19)9-7-16-3-4-17-9/h3-4,7H,1-2,5-6H2,(H2,15,19)
InChIKeyXOQMTQYEMWZYSW-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.03
Rot. Bonds6

About 4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide

4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide (PubChem CID 24865978) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is 4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide.

Molecular Properties

Compound Name4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide
PubChem CID24865978
Molecular FormulaC11H13F3N4O2
Molecular Weight290.24 g/mol
Exact Mass290.10
IUPAC Name4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide
SMILESNC(=O)CCCN(C(=O)CC(F)(F)F)c1cnccn1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)6-10(20)18(5-1-2-8(15)19)9-7-16-3-4-17-9/h3-4,7H,1-2,5-6H2,(H2,15,19)
InChIKeyXOQMTQYEMWZYSW-UHFFFAOYSA-N
XLogP1.03
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide?
The IUPAC name of 4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide (CID 24865978) is 4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide.
What is the SMILES notation for 4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide?
The canonical SMILES for 4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide is NC(=O)CCCN(C(=O)CC(F)(F)F)c1cnccn1.
What is the InChIKey of 4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide?
The InChIKey is XOQMTQYEMWZYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)6-10(20)18(5-1-2-8(15)19)9-7-16-3-4-17-9/h3-4,7H,1-2,5-6H2,(H2,15,19).
What are the key properties of 4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide?
4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide has a molecular weight of 290.24 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[pyrazin-2-yl(3,3,3-trifluoropropanoyl)amino]butanamide is sourced from PubChem (CID 24865978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).