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

C13H18N4O2 — CID 55130209

IUPACN'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cc2c(nc1N1CCC(O)C1)CCC2
InChIInChI=1S/C13H18N4O2/c14-12(16-19)10-6-8-2-1-3-11(8)15-13(10)17-5-4-9(18)7-17/h6,9,18-19H,1-5,7H2,(H2,14,16)
InChIKeyPRUBRZXNNGMIDN-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.24
Rot. Bonds2

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

N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 55130209) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID55130209
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cc2c(nc1N1CCC(O)C1)CCC2
InChIInChI=1S/C13H18N4O2/c14-12(16-19)10-6-8-2-1-3-11(8)15-13(10)17-5-4-9(18)7-17/h6,9,18-19H,1-5,7H2,(H2,14,16)
InChIKeyPRUBRZXNNGMIDN-UHFFFAOYSA-N
XLogP0.24
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
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-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 55130209) is N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is N/C(=N/O)c1cc2c(nc1N1CCC(O)C1)CCC2.
What is the InChIKey of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is PRUBRZXNNGMIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-12(16-19)10-6-8-2-1-3-11(8)15-13(10)17-5-4-9(18)7-17/h6,9,18-19H,1-5,7H2,(H2,14,16).
What are the key properties of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 262.31 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 55130209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).