(2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide

C13H20N4O2 — CID 135455169

IUPAC(2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide
SMILESCCN(CC)CCNC(=O)/C(=N\O)c1ccccn1
InChIInChI=1S/C13H20N4O2/c1-3-17(4-2)10-9-15-13(18)12(16-19)11-7-5-6-8-14-11/h5-8,19H,3-4,9-10H2,1-2H3,(H,15,18)/b16-12-
InChIKeyBKXKZNSUYQBNMO-VBKFSLOCSA-N
MW264.33 g/mol
LogP0.72
Rot. Bonds7

About (2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide

(2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide (PubChem CID 135455169) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name(2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide
PubChem CID135455169
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide
SMILESCCN(CC)CCNC(=O)/C(=N\O)c1ccccn1
InChIInChI=1S/C13H20N4O2/c1-3-17(4-2)10-9-15-13(18)12(16-19)11-7-5-6-8-14-11/h5-8,19H,3-4,9-10H2,1-2H3,(H,15,18)/b16-12-
InChIKeyBKXKZNSUYQBNMO-VBKFSLOCSA-N
XLogP0.72
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide?
The IUPAC name of (2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide (CID 135455169) is (2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide.
What is the SMILES notation for (2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide?
The canonical SMILES for (2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide is CCN(CC)CCNC(=O)/C(=N\O)c1ccccn1.
What is the InChIKey of (2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide?
The InChIKey is BKXKZNSUYQBNMO-VBKFSLOCSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-17(4-2)10-9-15-13(18)12(16-19)11-7-5-6-8-14-11/h5-8,19H,3-4,9-10H2,1-2H3,(H,15,18)/b16-12-.
What are the key properties of (2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide?
(2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide has a molecular weight of 264.33 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-pyridin-2-ylacetamide is sourced from PubChem (CID 135455169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).