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

C9H13F3N2O — CID 106313532

IUPAC5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O/c1-7-3-2-4-14(5-7)8(15)13-6-9(10,11)12/h3H,2,4-6H2,1H3,(H,13,15)
InChIKeyUASVHXCFSBFWIV-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.91
Rot. Bonds1

About 5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 106313532) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID106313532
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O/c1-7-3-2-4-14(5-7)8(15)13-6-9(10,11)12/h3H,2,4-6H2,1H3,(H,13,15)
InChIKeyUASVHXCFSBFWIV-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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Related Compounds

5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 164636759
1-[3-(ethylamino)propyl]-3-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trienyl]urea
CID 87856558
2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 162446301
2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide
CID 167149854
3-(2,2,2-Trifluoroethyl)-2,5-dihydropyrrole-1-carboxamide
CID 175709131
(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 177162178
1-Ethyl-1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
CID 78891553
N-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 97244760
N-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113338698
N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113338797
4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113340216
1-[2-(1,2,3,6-Tetrahydropyridin-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113965274

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 106313532) is 5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is UASVHXCFSBFWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-7-3-2-4-14(5-7)8(15)13-6-9(10,11)12/h3H,2,4-6H2,1H3,(H,13,15).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
5-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 5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 106313532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).