(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide

C23H22F3N3O3 — CID 44554330

IUPAC(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(/C=C/C(=O)N2CCCC(c3ccc(C(F)(F)F)cc3)C2)n1)NO
InChIInChI=1S/C23H22F3N3O3/c24-23(25,26)18-8-6-16(7-9-18)17-3-2-14-29(15-17)22(31)13-11-20-5-1-4-19(27-20)10-12-21(30)28-32/h1,4-13,17,32H,2-3,14-15H2,(H,28,30)/b12-10+,13-11+
InChIKeyZANCYHNONRICDC-DCIPZJNNSA-N
MW445.44 g/mol
LogP4.04
Rot. Bonds5

About (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide (PubChem CID 44554330) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide
PubChem CID44554330
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(/C=C/C(=O)N2CCCC(c3ccc(C(F)(F)F)cc3)C2)n1)NO
InChIInChI=1S/C23H22F3N3O3/c24-23(25,26)18-8-6-16(7-9-18)17-3-2-14-29(15-17)22(31)13-11-20-5-1-4-19(27-20)10-12-21(30)28-32/h1,4-13,17,32H,2-3,14-15H2,(H,28,30)/b12-10+,13-11+
InChIKeyZANCYHNONRICDC-DCIPZJNNSA-N
XLogP4.04
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide (CID 44554330) is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide is O=C(/C=C/c1cccc(/C=C/C(=O)N2CCCC(c3ccc(C(F)(F)F)cc3)C2)n1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide?
The InChIKey is ZANCYHNONRICDC-DCIPZJNNSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c24-23(25,26)18-8-6-16(7-9-18)17-3-2-14-29(15-17)22(31)13-11-20-5-1-4-19(27-20)10-12-21(30)28-32/h1,4-13,17,32H,2-3,14-15H2,(H,28,30)/b12-10+,13-11+.
What are the key properties of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide has a molecular weight of 445.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 44554330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).