(E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide

C15H15N3O3 — CID 118737949

IUPAC(E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccn(CCc2ccccn2)c1=O)NO
InChIInChI=1S/C15H15N3O3/c19-14(17-21)7-6-12-4-3-10-18(15(12)20)11-8-13-5-1-2-9-16-13/h1-7,9-10,21H,8,11H2,(H,17,19)/b7-6+
InChIKeyYEGVCAXFONKZEJ-VOTSOKGWSA-N
MW285.30 g/mol
LogP1.00
Rot. Bonds5

About (E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide (PubChem CID 118737949) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide
PubChem CID118737949
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccn(CCc2ccccn2)c1=O)NO
InChIInChI=1S/C15H15N3O3/c19-14(17-21)7-6-12-4-3-10-18(15(12)20)11-8-13-5-1-2-9-16-13/h1-7,9-10,21H,8,11H2,(H,17,19)/b7-6+
InChIKeyYEGVCAXFONKZEJ-VOTSOKGWSA-N
XLogP1.00
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide (CID 118737949) is (E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide is O=C(/C=C/c1cccn(CCc2ccccn2)c1=O)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide?
The InChIKey is YEGVCAXFONKZEJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(17-21)7-6-12-4-3-10-18(15(12)20)11-8-13-5-1-2-9-16-13/h1-7,9-10,21H,8,11H2,(H,17,19)/b7-6+.
What are the key properties of (E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide has a molecular weight of 285.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 118737949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).