(E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide

C18H17F3N2O3 — CID 89001903

IUPAC(E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccn(CCCc2ccccc2C(F)(F)F)c1=O)NO
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)15-8-2-1-5-13(15)6-3-11-23-12-4-7-14(17(23)25)9-10-16(24)22-26/h1-2,4-5,7-10,12,26H,3,6,11H2,(H,22,24)/b10-9+
InChIKeyCOYYFHFNVKETJF-MDZDMXLPSA-N
MW366.34 g/mol
LogP3.02
Rot. Bonds6

About (E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide (PubChem CID 89001903) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide
PubChem CID89001903
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name(E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccn(CCCc2ccccc2C(F)(F)F)c1=O)NO
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)15-8-2-1-5-13(15)6-3-11-23-12-4-7-14(17(23)25)9-10-16(24)22-26/h1-2,4-5,7-10,12,26H,3,6,11H2,(H,22,24)/b10-9+
InChIKeyCOYYFHFNVKETJF-MDZDMXLPSA-N
XLogP3.02
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 89001871
N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide
CID 11162880
N-hydroxy-3-[6-oxo-1-(2-phenylethyl)-2,3-dihydropyridin-5-yl]propanamide
CID 11403497
N-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11738183
N-Hydroxy-3-[2-oxo-1-(3-phenylpropyl)-1,2,5,6-tetrahydropyridin-3-yl]propionamide
CID 16720331
(E)-N-hydroxy-3-[1-(2-naphthalen-2-ylethyl)-2-oxo-3-pyridinyl]prop-2-enamide
CID 49846123
(E)-3-[1-[2-(4-ethylphenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846349
(E)-N-hydroxy-3-[2-oxo-1-(3-phenylpropyl)-3-pyridinyl]prop-2-enamide
CID 49846761
(E)-3-[1-[3-(4-ethylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846841
(E)-3-[1-[(4-ethylphenyl)methyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846990
(E)-3-[1-[(2-ethylphenyl)methyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846991
(E)-N-hydroxy-3-[1-(3-naphthalen-1-ylpropyl)-2-oxo-3-pyridinyl]prop-2-enamide
CID 49847149

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide (CID 89001903) is (E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide is O=C(/C=C/c1cccn(CCCc2ccccc2C(F)(F)F)c1=O)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide?
The InChIKey is COYYFHFNVKETJF-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)15-8-2-1-5-13(15)6-3-11-23-12-4-7-14(17(23)25)9-10-16(24)22-26/h1-2,4-5,7-10,12,26H,3,6,11H2,(H,22,24)/b10-9+.
What are the key properties of (E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide has a molecular weight of 366.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-oxo-1-[3-[2-(trifluoromethyl)phenyl]propyl]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 89001903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).