N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C8H11F3N2O — CID 115769484

IUPACN-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O/c1-12-7(14)13-4-2-6(3-5-13)8(9,10)11/h2H,3-5H2,1H3,(H,12,14)
InChIKeyXTYDRGQCADLONY-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.52
Rot. Bonds

About N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 115769484) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID115769484
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O/c1-12-7(14)13-4-2-6(3-5-13)8(9,10)11/h2H,3-5H2,1H3,(H,12,14)
InChIKeyXTYDRGQCADLONY-UHFFFAOYSA-N
XLogP1.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 115769484) is N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CNC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is XTYDRGQCADLONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-12-7(14)13-4-2-6(3-5-13)8(9,10)11/h2H,3-5H2,1H3,(H,12,14).
What are the key properties of N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 208.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 115769484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).