N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C15H20N4O2 — CID 77135913

IUPACN'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1N1CC3CCC(C1)O3)CCC2
InChIInChI=1S/C15H20N4O2/c16-14(18-20)12-6-9-2-1-3-13(9)17-15(12)19-7-10-4-5-11(8-19)21-10/h6,10-11,20H,1-5,7-8H2,(H2,16,18)
InChIKeyDGHUZWZWCSSCHX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.03
Rot. Bonds2

About N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 77135913) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID77135913
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1N1CC3CCC(C1)O3)CCC2
InChIInChI=1S/C15H20N4O2/c16-14(18-20)12-6-9-2-1-3-13(9)17-15(12)19-7-10-4-5-11(8-19)21-10/h6,10-11,20H,1-5,7-8H2,(H2,16,18)
InChIKeyDGHUZWZWCSSCHX-UHFFFAOYSA-N
XLogP1.03
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.03
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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 77135913) is N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is NC(=NO)c1cc2c(nc1N1CC3CCC(C1)O3)CCC2.
What is the InChIKey of N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is DGHUZWZWCSSCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-14(18-20)12-6-9-2-1-3-13(9)17-15(12)19-7-10-4-5-11(8-19)21-10/h6,10-11,20H,1-5,7-8H2,(H2,16,18).
What are the key properties of N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 288.35 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 77135913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).