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

C9H13F3N2O — CID 162446301

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1CC=CCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-7-4-2-3-5-14(7)8(15)13-6-9(10,11)12/h2-3,7H,4-6H2,1H3,(H,13,15)
InChIKeyWGZJQRWFILCFBJ-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.91
Rot. Bonds1

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

2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 162446301) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID162446301
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1CC=CCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-7-4-2-3-5-14(7)8(15)13-6-9(10,11)12/h2-3,7H,4-6H2,1H3,(H,13,15)
InChIKeyWGZJQRWFILCFBJ-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 162446301) is 2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC1CC=CCN1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is WGZJQRWFILCFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-7-4-2-3-5-14(7)8(15)13-6-9(10,11)12/h2-3,7H,4-6H2,1H3,(H,13,15).
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 222.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 162446301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).