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

C13H19F3N2O — CID 75390292

IUPACN-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)10-6-8-18(9-7-10)12(19)17-11-4-2-1-3-5-11/h6,11H,1-5,7-9H2,(H,17,19)
InChIKeyZLTCFBPRWVPUSR-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.22
Rot. Bonds1

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

N-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 75390292) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID75390292
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)10-6-8-18(9-7-10)12(19)17-11-4-2-1-3-5-11/h6,11H,1-5,7-9H2,(H,17,19)
InChIKeyZLTCFBPRWVPUSR-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.22
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-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 75390292) is N-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NC1CCCCC1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is ZLTCFBPRWVPUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)10-6-8-18(9-7-10)12(19)17-11-4-2-1-3-5-11/h6,11H,1-5,7-9H2,(H,17,19).
What are the key properties of N-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 75390292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).