2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide

C11H11F3N2O — CID 2795952

IUPAC2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C11H11F3N2O/c1-3-6-15-10(17)8-4-5-9(11(12,13)14)16-7(8)2/h3-5H,1,6H2,2H3,(H,15,17)
InChIKeySONCGHSDVPHUBB-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.32
Rot. Bonds3

About 2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2795952) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2795952
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C11H11F3N2O/c1-3-6-15-10(17)8-4-5-9(11(12,13)14)16-7(8)2/h3-5H,1,6H2,2H3,(H,15,17)
InChIKeySONCGHSDVPHUBB-UHFFFAOYSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 2795952) is 2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide is C=CCNC(=O)c1ccc(C(F)(F)F)nc1C.
What is the InChIKey of 2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SONCGHSDVPHUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-3-6-15-10(17)8-4-5-9(11(12,13)14)16-7(8)2/h3-5H,1,6H2,2H3,(H,15,17).
What are the key properties of 2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 244.22 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2795952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).