2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C15H22N4O2 — CID 76916506

IUPAC2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCC1COCCN1c1nc2c(cc1C(N)=NO)CCC2
InChIInChI=1S/C15H22N4O2/c1-2-11-9-21-7-6-19(11)15-12(14(16)18-20)8-10-4-3-5-13(10)17-15/h8,11,20H,2-7,9H2,1H3,(H2,16,18)
InChIKeyUQSVEDLDOVDSEF-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.28
Rot. Bonds3

About 2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 76916506) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID76916506
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCC1COCCN1c1nc2c(cc1C(N)=NO)CCC2
InChIInChI=1S/C15H22N4O2/c1-2-11-9-21-7-6-19(11)15-12(14(16)18-20)8-10-4-3-5-13(10)17-15/h8,11,20H,2-7,9H2,1H3,(H2,16,18)
InChIKeyUQSVEDLDOVDSEF-UHFFFAOYSA-N
XLogP1.28
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.28
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 2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 76916506) is 2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is CCC1COCCN1c1nc2c(cc1C(N)=NO)CCC2.
What is the InChIKey of 2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is UQSVEDLDOVDSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-11-9-21-7-6-19(11)15-12(14(16)18-20)8-10-4-3-5-13(10)17-15/h8,11,20H,2-7,9H2,1H3,(H2,16,18).
What are the key properties of 2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 290.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 76916506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).