2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C15H23N5O — CID 76916651

IUPAC2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCN1CCN(c2nc3c(cc2C(N)=NO)CCC3)CC1
InChIInChI=1S/C15H23N5O/c1-2-19-6-8-20(9-7-19)15-12(14(16)18-21)10-11-4-3-5-13(11)17-15/h10,21H,2-9H2,1H3,(H2,16,18)
InChIKeyZOZRAURKWZRTAY-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.81
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 76916651) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID76916651
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCN1CCN(c2nc3c(cc2C(N)=NO)CCC3)CC1
InChIInChI=1S/C15H23N5O/c1-2-19-6-8-20(9-7-19)15-12(14(16)18-21)10-11-4-3-5-13(11)17-15/h10,21H,2-9H2,1H3,(H2,16,18)
InChIKeyZOZRAURKWZRTAY-UHFFFAOYSA-N
XLogP0.81
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.81
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-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 76916651) is 2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is CCN1CCN(c2nc3c(cc2C(N)=NO)CCC3)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is ZOZRAURKWZRTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-2-19-6-8-20(9-7-19)15-12(14(16)18-21)10-11-4-3-5-13(11)17-15/h10,21H,2-9H2,1H3,(H2,16,18).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 289.38 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 76916651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).