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

C15H22N4O — CID 76916551

IUPAC2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCC1CCCN1c1nc2c(cc1C(N)=NO)CCC2
InChIInChI=1S/C15H22N4O/c1-2-11-6-4-8-19(11)15-12(14(16)18-20)9-10-5-3-7-13(10)17-15/h9,11,20H,2-8H2,1H3,(H2,16,18)
InChIKeyKLMPOUVNQKJDEC-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.04
Rot. Bonds3

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

2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 76916551) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID76916551
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCC1CCCN1c1nc2c(cc1C(N)=NO)CCC2
InChIInChI=1S/C15H22N4O/c1-2-11-6-4-8-19(11)15-12(14(16)18-20)9-10-5-3-7-13(10)17-15/h9,11,20H,2-8H2,1H3,(H2,16,18)
InChIKeyKLMPOUVNQKJDEC-UHFFFAOYSA-N
XLogP2.04
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.04
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-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 76916551) is 2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is CCC1CCCN1c1nc2c(cc1C(N)=NO)CCC2.
What is the InChIKey of 2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is KLMPOUVNQKJDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-11-6-4-8-19(11)15-12(14(16)18-20)9-10-5-3-7-13(10)17-15/h9,11,20H,2-8H2,1H3,(H2,16,18).
What are the key properties of 2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 274.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrrolidin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 76916551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).