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

C11H17F3N2O — CID 115770409

IUPACN,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c1-3-15(4-2)10(17)16-7-5-9(6-8-16)11(12,13)14/h5H,3-4,6-8H2,1-2H3
InChIKeyLWDXMLZDRCAEGB-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.64
Rot. Bonds2

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

N,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 115770409) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID115770409
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c1-3-15(4-2)10(17)16-7-5-9(6-8-16)11(12,13)14/h5H,3-4,6-8H2,1-2H3
InChIKeyLWDXMLZDRCAEGB-UHFFFAOYSA-N
XLogP2.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-4-(trifluoromethyl)-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 N,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 115770409) is N,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CCN(CC)C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is LWDXMLZDRCAEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-3-15(4-2)10(17)16-7-5-9(6-8-16)11(12,13)14/h5H,3-4,6-8H2,1-2H3.
What are the key properties of N,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 115770409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).