N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide

C10H15N3O2 — CID 83884406

IUPACN'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide
SMILESCC(C)Oc1cc(C/C(N)=N/O)ccn1
InChIInChI=1S/C10H15N3O2/c1-7(2)15-10-6-8(3-4-12-10)5-9(11)13-14/h3-4,6-7,14H,5H2,1-2H3,(H2,11,13)
InChIKeyAOWNKVXOHQRIIF-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.16
Rot. Bonds4

About N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide

N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide (PubChem CID 83884406) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide
PubChem CID83884406
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide
SMILESCC(C)Oc1cc(C/C(N)=N/O)ccn1
InChIInChI=1S/C10H15N3O2/c1-7(2)15-10-6-8(3-4-12-10)5-9(11)13-14/h3-4,6-7,14H,5H2,1-2H3,(H2,11,13)
InChIKeyAOWNKVXOHQRIIF-UHFFFAOYSA-N
XLogP1.16
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.16
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine
CID 69013905
N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide
CID 77032863
(2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide
CID 99704294
N-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyridin-2-amine
CID 86805580
2-(3-ethoxy-4-hydroxyphenyl)-N'-hydroxyethanimidamide
CID 59395610
N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide
CID 83875685
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one
CID 168659174
ethyl (2S)-2-[[4-(bromomethyl)-2-pyridinyl]oxy]propanoate
CID 86732635
[2-(1-phenylethoxy)-4-pyridinyl]methanol
CID 61256752
N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide
CID 77020797
[2-(1-phenylethoxy)-4-pyridinyl]methanamine
CID 18071091

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide (CID 83884406) is N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide is CC(C)Oc1cc(C/C(N)=N/O)ccn1.
What is the InChIKey of N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide?
The InChIKey is AOWNKVXOHQRIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)15-10-6-8(3-4-12-10)5-9(11)13-14/h3-4,6-7,14H,5H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide?
N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide has a molecular weight of 209.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide is sourced from PubChem (CID 83884406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).