(2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide

C14H13N3O2 — CID 17019745

IUPAC(2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(NCc1ccccn1)/C(=N/O)c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-14(16-10-12-8-4-5-9-15-12)13(17-19)11-6-2-1-3-7-11/h1-9,19H,10H2,(H,16,18)/b17-13+
InChIKeyOXIIGFYNROKCEF-GHRIWEEISA-N
MW255.28 g/mol
LogP1.58
Rot. Bonds4

About (2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide

(2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 17019745) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID17019745
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name(2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(NCc1ccccn1)/C(=N/O)c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-14(16-10-12-8-4-5-9-15-12)13(17-19)11-6-2-1-3-7-11/h1-9,19H,10H2,(H,16,18)/b17-13+
InChIKeyOXIIGFYNROKCEF-GHRIWEEISA-N
XLogP1.58
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of (2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide (CID 17019745) is (2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for (2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide is O=C(NCc1ccccn1)/C(=N/O)c1ccccc1.
What is the InChIKey of (2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is OXIIGFYNROKCEF-GHRIWEEISA-N. The full InChI is InChI=1S/C14H13N3O2/c18-14(16-10-12-8-4-5-9-15-12)13(17-19)11-6-2-1-3-7-11/h1-9,19H,10H2,(H,16,18)/b17-13+.
What are the key properties of (2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
(2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 255.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 17019745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).