3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide

C9H9F3N2O2 — CID 17436445

IUPAC3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESNC(=O)CCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)6-1-2-8(16)14(5-6)4-3-7(13)15/h1-2,5H,3-4H2,(H2,13,15)
InChIKeyOBHWQQBFCCEXFR-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.74
Rot. Bonds3

About 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide

3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide (PubChem CID 17436445) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
PubChem CID17436445
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESNC(=O)CCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)6-1-2-8(16)14(5-6)4-3-7(13)15/h1-2,5H,3-4H2,(H2,13,15)
InChIKeyOBHWQQBFCCEXFR-UHFFFAOYSA-N
XLogP0.74
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide?
The IUPAC name of 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide (CID 17436445) is 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide.
What is the SMILES notation for 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide?
The canonical SMILES for 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide is NC(=O)CCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide?
The InChIKey is OBHWQQBFCCEXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)6-1-2-8(16)14(5-6)4-3-7(13)15/h1-2,5H,3-4H2,(H2,13,15).
What are the key properties of 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide?
3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide has a molecular weight of 234.18 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide is sourced from PubChem (CID 17436445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).