2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide

C10H13N3O2 — CID 43188648

IUPAC2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1OCC1CC1
InChIInChI=1S/C10H13N3O2/c11-9(13-14)8-2-1-5-12-10(8)15-6-7-3-4-7/h1-2,5,7,14H,3-4,6H2,(H2,11,13)
InChIKeyZDKUVQYPFMJNNG-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.96
Rot. Bonds4

About 2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide

2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 43188648) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide
PubChem CID43188648
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1OCC1CC1
InChIInChI=1S/C10H13N3O2/c11-9(13-14)8-2-1-5-12-10(8)15-6-7-3-4-7/h1-2,5,7,14H,3-4,6H2,(H2,11,13)
InChIKeyZDKUVQYPFMJNNG-UHFFFAOYSA-N
XLogP0.96
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.96
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide (CID 43188648) is 2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide is N/C(=N\O)c1cccnc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is ZDKUVQYPFMJNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-9(13-14)8-2-1-5-12-10(8)15-6-7-3-4-7/h1-2,5,7,14H,3-4,6H2,(H2,11,13).
What are the key properties of 2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide?
2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 207.23 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 43188648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).