2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

C12H13F3N2O — CID 146198045

IUPAC2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc(C(F)(F)F)nc1CCC
InChIInChI=1S/C12H13F3N2O/c1-3-4-9-8(7(2)11(16)18)5-6-10(17-9)12(13,14)15/h5-6H,2-4H2,1H3,(H2,16,18)
InChIKeyHPPSIRFEMZJDKY-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.55
Rot. Bonds4

About 2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide (PubChem CID 146198045) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
PubChem CID146198045
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc(C(F)(F)F)nc1CCC
InChIInChI=1S/C12H13F3N2O/c1-3-4-9-8(7(2)11(16)18)5-6-10(17-9)12(13,14)15/h5-6H,2-4H2,1H3,(H2,16,18)
InChIKeyHPPSIRFEMZJDKY-UHFFFAOYSA-N
XLogP2.55
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of 2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide (CID 146198045) is 2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for 2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for 2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide is C=C(C(N)=O)c1ccc(C(F)(F)F)nc1CCC.
What is the InChIKey of 2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The InChIKey is HPPSIRFEMZJDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-3-4-9-8(7(2)11(16)18)5-6-10(17-9)12(13,14)15/h5-6H,2-4H2,1H3,(H2,16,18).
What are the key properties of 2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide has a molecular weight of 258.24 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 146198045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).