4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

C13H21N3O3 — CID 103488491

IUPAC4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCCOCC(C)Oc1cc(C)nc(C)c1/C(N)=N/O
InChIInChI=1S/C13H21N3O3/c1-5-18-7-9(3)19-11-6-8(2)15-10(4)12(11)13(14)16-17/h6,9,17H,5,7H2,1-4H3,(H2,14,16)
InChIKeyFMZZNDBTOQBIPS-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.60
Rot. Bonds6

About 4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 103488491) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
PubChem CID103488491
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCCOCC(C)Oc1cc(C)nc(C)c1/C(N)=N/O
InChIInChI=1S/C13H21N3O3/c1-5-18-7-9(3)19-11-6-8(2)15-10(4)12(11)13(14)16-17/h6,9,17H,5,7H2,1-4H3,(H2,14,16)
InChIKeyFMZZNDBTOQBIPS-UHFFFAOYSA-N
XLogP1.60
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (CID 103488491) is 4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is CCOCC(C)Oc1cc(C)nc(C)c1/C(N)=N/O.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is FMZZNDBTOQBIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-18-7-9(3)19-11-6-8(2)15-10(4)12(11)13(14)16-17/h6,9,17H,5,7H2,1-4H3,(H2,14,16).
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 267.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 103488491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).