3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide

C13H17F3N2O3 — CID 56814266

IUPAC3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESCC(C)COCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c1-8(2)7-21-4-3-11(19)18-10-5-9(13(14,15)16)6-17-12(10)20/h5-6,8H,3-4,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOSADFTOQHYIFLN-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.39
Rot. Bonds6

About 3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide

3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (PubChem CID 56814266) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
PubChem CID56814266
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESCC(C)COCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c1-8(2)7-21-4-3-11(19)18-10-5-9(13(14,15)16)6-17-12(10)20/h5-6,8H,3-4,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOSADFTOQHYIFLN-UHFFFAOYSA-N
XLogP2.39
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (CID 56814266) is 3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is CC(C)COCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The InChIKey is OSADFTOQHYIFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-8(2)7-21-4-3-11(19)18-10-5-9(13(14,15)16)6-17-12(10)20/h5-6,8H,3-4,7H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide has a molecular weight of 306.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is sourced from PubChem (CID 56814266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).