2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide

C15H15N3O2 — CID 43212365

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C15H15N3O2/c16-14(18-19)13-5-2-8-17-15(13)20-12-7-6-10-3-1-4-11(10)9-12/h2,5-9,19H,1,3-4H2,(H2,16,18)
InChIKeyVLGIXSXCTBUNNC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.46
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 43212365) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide
PubChem CID43212365
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C15H15N3O2/c16-14(18-19)13-5-2-8-17-15(13)20-12-7-6-10-3-1-4-11(10)9-12/h2,5-9,19H,1,3-4H2,(H2,16,18)
InChIKeyVLGIXSXCTBUNNC-UHFFFAOYSA-N
XLogP2.46
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.46
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-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide (CID 43212365) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide is N/C(=N\O)c1cccnc1Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is VLGIXSXCTBUNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-14(18-19)13-5-2-8-17-15(13)20-12-7-6-10-3-1-4-11(10)9-12/h2,5-9,19H,1,3-4H2,(H2,16,18).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 269.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 43212365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).