(E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide

C23H19N3O3 — CID 23626081

IUPAC(E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)C(=O)N(Cc1ccc(-c3cccnc3)cc1)C2)NO
InChIInChI=1S/C23H19N3O3/c27-22(25-29)10-6-16-3-9-20-15-26(23(28)21(20)12-16)14-17-4-7-18(8-5-17)19-2-1-11-24-13-19/h1-13,29H,14-15H2,(H,25,27)/b10-6+
InChIKeyIALIYKZOWZSJRW-UXBLZVDNSA-N
MW385.42 g/mol
LogP3.42
Rot. Bonds5

About (E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide (PubChem CID 23626081) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide
PubChem CID23626081
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name(E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)C(=O)N(Cc1ccc(-c3cccnc3)cc1)C2)NO
InChIInChI=1S/C23H19N3O3/c27-22(25-29)10-6-16-3-9-20-15-26(23(28)21(20)12-16)14-17-4-7-18(8-5-17)19-2-1-11-24-13-19/h1-13,29H,14-15H2,(H,25,27)/b10-6+
InChIKeyIALIYKZOWZSJRW-UXBLZVDNSA-N
XLogP3.42
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.42
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-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide (CID 23626081) is (E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)C(=O)N(Cc1ccc(-c3cccnc3)cc1)C2)NO.
What is the InChIKey of (E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide?
The InChIKey is IALIYKZOWZSJRW-UXBLZVDNSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(25-29)10-6-16-3-9-20-15-26(23(28)21(20)12-16)14-17-4-7-18(8-5-17)19-2-1-11-24-13-19/h1-13,29H,14-15H2,(H,25,27)/b10-6+.
What are the key properties of (E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide has a molecular weight of 385.42 g/mol, XLogP of 3.42, 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-[3-oxo-2-[(4-pyridin-3-ylphenyl)methyl]-1H-isoindol-5-yl]prop-2-enamide is sourced from PubChem (CID 23626081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).