(2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide

C15H21N5O3 — CID 59954795

IUPAC(2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide
SMILESCC/N=C(C)/C(C)=N/Oc1ncccc1/C(=N\OC)C(=O)NC
InChIInChI=1S/C15H21N5O3/c1-6-17-10(2)11(3)19-23-15-12(8-7-9-18-15)13(20-22-5)14(21)16-4/h7-9H,6H2,1-5H3,(H,16,21)/b17-10+,19-11+,20-13+
InChIKeyPUMWQPCZAKHNRY-RDOUSDIJSA-N
MW319.37 g/mol
LogP1.41
Rot. Bonds7

About (2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide

(2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide (PubChem CID 59954795) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is (2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide
PubChem CID59954795
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name(2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide
SMILESCC/N=C(C)/C(C)=N/Oc1ncccc1/C(=N\OC)C(=O)NC
InChIInChI=1S/C15H21N5O3/c1-6-17-10(2)11(3)19-23-15-12(8-7-9-18-15)13(20-22-5)14(21)16-4/h7-9H,6H2,1-5H3,(H,16,21)/b17-10+,19-11+,20-13+
InChIKeyPUMWQPCZAKHNRY-RDOUSDIJSA-N
XLogP1.41
TPSA97.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide (CID 59954795) is (2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide is CC/N=C(C)/C(C)=N/Oc1ncccc1/C(=N\OC)C(=O)NC.
What is the InChIKey of (2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is PUMWQPCZAKHNRY-RDOUSDIJSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-6-17-10(2)11(3)19-23-15-12(8-7-9-18-15)13(20-22-5)14(21)16-4/h7-9H,6H2,1-5H3,(H,16,21)/b17-10+,19-11+,20-13+.
What are the key properties of (2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide?
(2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 319.37 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 59954795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).