(E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide

C21H18N2O3 — CID 89001871

IUPAC(E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccn(C/C=C/c2cccc3ccccc23)c1=O)NO
InChIInChI=1S/C21H18N2O3/c24-20(22-26)13-12-18-10-5-15-23(21(18)25)14-4-9-17-8-3-7-16-6-1-2-11-19(16)17/h1-13,15,26H,14H2,(H,22,24)/b9-4+,13-12+
InChIKeyLMMTUUDMWFPFTJ-IUZWSJCJSA-N
MW346.39 g/mol
LogP3.23
Rot. Bonds5

About (E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide (PubChem CID 89001871) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide
PubChem CID89001871
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name(E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccn(C/C=C/c2cccc3ccccc23)c1=O)NO
InChIInChI=1S/C21H18N2O3/c24-20(22-26)13-12-18-10-5-15-23(21(18)25)14-4-9-17-8-3-7-16-6-1-2-11-19(16)17/h1-13,15,26H,14H2,(H,22,24)/b9-4+,13-12+
InChIKeyLMMTUUDMWFPFTJ-IUZWSJCJSA-N
XLogP3.23
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.23
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-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide (CID 89001871) is (E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide is O=C(/C=C/c1cccn(C/C=C/c2cccc3ccccc23)c1=O)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide?
The InChIKey is LMMTUUDMWFPFTJ-IUZWSJCJSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-20(22-26)13-12-18-10-5-15-23(21(18)25)14-4-9-17-8-3-7-16-6-1-2-11-19(16)17/h1-13,15,26H,14H2,(H,22,24)/b9-4+,13-12+.
What are the key properties of (E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide has a molecular weight of 346.39 g/mol, XLogP of 3.23, 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-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 89001871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).