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

C14H13N3O3 — CID 118737948

IUPAC(E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccn(Cc2ccccn2)c1=O)NO
InChIInChI=1S/C14H13N3O3/c18-13(16-20)7-6-11-4-3-9-17(14(11)19)10-12-5-1-2-8-15-12/h1-9,20H,10H2,(H,16,18)/b7-6+
InChIKeyJWJCTJMBIBAMKC-VOTSOKGWSA-N
MW271.28 g/mol
LogP0.81
Rot. Bonds4

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

(E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide (PubChem CID 118737948) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide
PubChem CID118737948
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name(E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccn(Cc2ccccn2)c1=O)NO
InChIInChI=1S/C14H13N3O3/c18-13(16-20)7-6-11-4-3-9-17(14(11)19)10-12-5-1-2-8-15-12/h1-9,20H,10H2,(H,16,18)/b7-6+
InChIKeyJWJCTJMBIBAMKC-VOTSOKGWSA-N
XLogP0.81
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.81
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-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide (CID 118737948) is (E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide is O=C(/C=C/c1cccn(Cc2ccccn2)c1=O)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide?
The InChIKey is JWJCTJMBIBAMKC-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(16-20)7-6-11-4-3-9-17(14(11)19)10-12-5-1-2-8-15-12/h1-9,20H,10H2,(H,16,18)/b7-6+.
What are the key properties of (E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide has a molecular weight of 271.28 g/mol, XLogP of 0.81, 4 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-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 118737948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).