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

C12H17F3N2O — CID 115769618

IUPACN-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)9-5-7-17(8-6-9)11(18)16-10-3-1-2-4-10/h5,10H,1-4,6-8H2,(H,16,18)
InChIKeyFDLYJBBILYHYKX-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.83
Rot. Bonds1

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

N-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 115769618) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID115769618
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)9-5-7-17(8-6-9)11(18)16-10-3-1-2-4-10/h5,10H,1-4,6-8H2,(H,16,18)
InChIKeyFDLYJBBILYHYKX-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-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-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 115769618) is N-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NC1CCCC1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is FDLYJBBILYHYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)9-5-7-17(8-6-9)11(18)16-10-3-1-2-4-10/h5,10H,1-4,6-8H2,(H,16,18).
What are the key properties of N-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 115769618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).