N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C9H13F3N2O — CID 126772187

IUPACN-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCNC(=O)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c1-13-8(15)6-14-4-2-7(3-5-14)9(10,11)12/h2H,3-6H2,1H3,(H,13,15)
InChIKeyJETCSFCIJXNDAK-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.93
Rot. Bonds2

About N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 126772187) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID126772187
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCNC(=O)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c1-13-8(15)6-14-4-2-7(3-5-14)9(10,11)12/h2H,3-6H2,1H3,(H,13,15)
InChIKeyJETCSFCIJXNDAK-UHFFFAOYSA-N
XLogP0.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide 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 N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 126772187) is N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is CNC(=O)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is JETCSFCIJXNDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-13-8(15)6-14-4-2-7(3-5-14)9(10,11)12/h2H,3-6H2,1H3,(H,13,15).
What are the key properties of N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 222.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 126772187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).