N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide

C13H15F3N2O2 — CID 154856649

IUPACN-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-4-10(19)18-12(2,3)8-20-11-9(13(14,15)16)6-5-7-17-11/h4-7H,1,8H2,2-3H3,(H,18,19)
InChIKeyVQWMRMIDJSLCMR-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.56
Rot. Bonds5

About N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide

N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide (PubChem CID 154856649) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide
PubChem CID154856649
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-4-10(19)18-12(2,3)8-20-11-9(13(14,15)16)6-5-7-17-11/h4-7H,1,8H2,2-3H3,(H,18,19)
InChIKeyVQWMRMIDJSLCMR-UHFFFAOYSA-N
XLogP2.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
CID 75505421
3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 154805694
2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide
CID 166072132
2,2-dimethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402310
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 158839234
2,2-dimethyl-N-[(3S,4R)-4-methylpyrrolidin-3-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2-dimethyl-N-[(3R,4S)-4-methylpyrrolidin-3-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 162010496
N-(4,4-difluoropyrrolidin-3-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402376
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,3,3-trimethylpiperidin-4-yl)propanamide
CID 146402372
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146401832
tert-butyl (3S,4R)-3-[[2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]-4-methylpyrrolidine-1-carboxylate
CID 146402323
2-butan-2-yloxy-3-(trifluoromethyl)pyridine
CID 150604612

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide?
The IUPAC name of N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide (CID 154856649) is N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide?
The canonical SMILES for N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide is C=CC(=O)NC(C)(C)COc1ncccc1C(F)(F)F.
What is the InChIKey of N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide?
The InChIKey is VQWMRMIDJSLCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-4-10(19)18-12(2,3)8-20-11-9(13(14,15)16)6-5-7-17-11/h4-7H,1,8H2,2-3H3,(H,18,19).
What are the key properties of N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide?
N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide has a molecular weight of 288.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide is sourced from PubChem (CID 154856649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).