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

C9H13F3N2O — CID 115769621

IUPACN,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCN(C)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c1-13(2)8(15)14-5-3-7(4-6-14)9(10,11)12/h3H,4-6H2,1-2H3
InChIKeyQDZCLZXHCCAVLG-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.86
Rot. Bonds

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

N,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 115769621) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID115769621
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCN(C)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c1-13(2)8(15)14-5-3-7(4-6-14)9(10,11)12/h3H,4-6H2,1-2H3
InChIKeyQDZCLZXHCCAVLG-UHFFFAOYSA-N
XLogP1.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.86
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,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 115769621) is N,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CN(C)C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is QDZCLZXHCCAVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-13(2)8(15)14-5-3-7(4-6-14)9(10,11)12/h3H,4-6H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 222.21 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 115769621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).