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

C10H15F3N2O — CID 114489749

IUPACN-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCN(C)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c1-3-14(2)9(16)15-6-4-8(5-7-15)10(11,12)13/h4H,3,5-7H2,1-2H3
InChIKeyKTDJYIGFPUFTCF-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.25
Rot. Bonds1

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

N-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 114489749) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID114489749
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCN(C)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c1-3-14(2)9(16)15-6-4-8(5-7-15)10(11,12)13/h4H,3,5-7H2,1-2H3
InChIKeyKTDJYIGFPUFTCF-UHFFFAOYSA-N
XLogP2.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
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-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 114489749) is N-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CCN(C)C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is KTDJYIGFPUFTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-3-14(2)9(16)15-6-4-8(5-7-15)10(11,12)13/h4H,3,5-7H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 236.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 114489749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).