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

C9H13F3N2O — CID 97244760

IUPACN-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCNC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c1-2-13-8(15)14-5-3-7(4-6-14)9(10,11)12/h3H,2,4-6H2,1H3,(H,13,15)
InChIKeyHSZSILQDSMYXFR-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.91
Rot. Bonds1

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

N-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 97244760) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID97244760
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCNC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c1-2-13-8(15)14-5-3-7(4-6-14)9(10,11)12/h3H,2,4-6H2,1H3,(H,13,15)
InChIKeyHSZSILQDSMYXFR-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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 97244760) is N-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CCNC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is HSZSILQDSMYXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-2-13-8(15)14-5-3-7(4-6-14)9(10,11)12/h3H,2,4-6H2,1H3,(H,13,15).
What are the key properties of N-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-ethyl-4-(trifluoromethyl)-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 N-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 97244760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).