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

C9H13F3N2O — CID 115766536

IUPAC4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c1-7-2-4-14(5-3-7)8(15)13-6-9(10,11)12/h2H,3-6H2,1H3,(H,13,15)
InChIKeyUSOIXHDIZIBBJH-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.91
Rot. Bonds1

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

4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 115766536) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID115766536
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c1-7-2-4-14(5-3-7)8(15)13-6-9(10,11)12/h2H,3-6H2,1H3,(H,13,15)
InChIKeyUSOIXHDIZIBBJH-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 4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 115766536) is 4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is USOIXHDIZIBBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-7-2-4-14(5-3-7)8(15)13-6-9(10,11)12/h2H,3-6H2,1H3,(H,13,15).
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-methyl-N-(2,2,2-trifluoroethyl)-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 4-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 115766536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).