3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C11H13F3N2O3 — CID 103726196

IUPAC3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESO=C(CCn1ccccc1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)8(17)7-15-9(18)4-6-16-5-2-1-3-10(16)19/h1-3,5,8,17H,4,6-7H2,(H,15,18)
InChIKeyQRPMYWBTSLIYOJ-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.28
Rot. Bonds5

About 3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103726196) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103726196
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESO=C(CCn1ccccc1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)8(17)7-15-9(18)4-6-16-5-2-1-3-10(16)19/h1-3,5,8,17H,4,6-7H2,(H,15,18)
InChIKeyQRPMYWBTSLIYOJ-UHFFFAOYSA-N
XLogP0.28
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103726196) is 3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is O=C(CCn1ccccc1=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is QRPMYWBTSLIYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-11(13,14)8(17)7-15-9(18)4-6-16-5-2-1-3-10(16)19/h1-3,5,8,17H,4,6-7H2,(H,15,18).
What are the key properties of 3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 278.23 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103726196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).