N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide

C12H15N3O2 — CID 72517738

IUPACN'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide
SMILESCC=CC=CCOc1ccc(/N=C/NO)cn1
InChIInChI=1S/C12H15N3O2/c1-2-3-4-5-8-17-12-7-6-11(9-13-12)14-10-15-16/h2-7,9-10,16H,8H2,1H3,(H,14,15)
InChIKeyTYQDUNGNLDSZQR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.23
Rot. Bonds6

About N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide

N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide (PubChem CID 72517738) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide
PubChem CID72517738
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide
SMILESCC=CC=CCOc1ccc(/N=C/NO)cn1
InChIInChI=1S/C12H15N3O2/c1-2-3-4-5-8-17-12-7-6-11(9-13-12)14-10-15-16/h2-7,9-10,16H,8H2,1H3,(H,14,15)
InChIKeyTYQDUNGNLDSZQR-UHFFFAOYSA-N
XLogP2.23
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide (CID 72517738) is N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide is CC=CC=CCOc1ccc(/N=C/NO)cn1.
What is the InChIKey of N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide?
The InChIKey is TYQDUNGNLDSZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-3-4-5-8-17-12-7-6-11(9-13-12)14-10-15-16/h2-7,9-10,16H,8H2,1H3,(H,14,15).
What are the key properties of N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide?
N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide has a molecular weight of 233.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 72517738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).