N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C15H17N3O2S — CID 76916556

IUPACN'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1OCCc1cccs1)CCC2
InChIInChI=1S/C15H17N3O2S/c16-14(18-19)12-9-10-3-1-5-13(10)17-15(12)20-7-6-11-4-2-8-21-11/h2,4,8-9,19H,1,3,5-7H2,(H2,16,18)
InChIKeyBJSKBKZPEXOPEZ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.35
Rot. Bonds5

About N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 76916556) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID76916556
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1OCCc1cccs1)CCC2
InChIInChI=1S/C15H17N3O2S/c16-14(18-19)12-9-10-3-1-5-13(10)17-15(12)20-7-6-11-4-2-8-21-11/h2,4,8-9,19H,1,3,5-7H2,(H2,16,18)
InChIKeyBJSKBKZPEXOPEZ-UHFFFAOYSA-N
XLogP2.35
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.35
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 N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 76916556) is N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is NC(=NO)c1cc2c(nc1OCCc1cccs1)CCC2.
What is the InChIKey of N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is BJSKBKZPEXOPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-14(18-19)12-9-10-3-1-5-13(10)17-15(12)20-7-6-11-4-2-8-21-11/h2,4,8-9,19H,1,3,5-7H2,(H2,16,18).
What are the key properties of N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 303.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 76916556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).