(E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide

C15H14N2O3 — CID 129010544

IUPAC(E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2cccnc2)cc1)NO
InChIInChI=1S/C15H14N2O3/c18-15(17-19)8-5-12-3-6-14(7-4-12)20-11-13-2-1-9-16-10-13/h1-10,19H,11H2,(H,17,18)/b8-5+
InChIKeyIHIHUNXBYBTPTP-VMPITWQZSA-N
MW270.29 g/mol
LogP2.18
Rot. Bonds5

About (E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 129010544) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
PubChem CID129010544
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2cccnc2)cc1)NO
InChIInChI=1S/C15H14N2O3/c18-15(17-19)8-5-12-3-6-14(7-4-12)20-11-13-2-1-9-16-10-13/h1-10,19H,11H2,(H,17,18)/b8-5+
InChIKeyIHIHUNXBYBTPTP-VMPITWQZSA-N
XLogP2.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.18
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-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide (CID 129010544) is (E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(OCc2cccnc2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is IHIHUNXBYBTPTP-VMPITWQZSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(17-19)8-5-12-3-6-14(7-4-12)20-11-13-2-1-9-16-10-13/h1-10,19H,11H2,(H,17,18)/b8-5+.
What are the key properties of (E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 270.29 g/mol, XLogP of 2.18, 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-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 129010544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).