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

C12H13N5O — CID 76916670

IUPACN'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1-n1ccnc1)CCC2
InChIInChI=1S/C12H13N5O/c13-11(16-18)9-6-8-2-1-3-10(8)15-12(9)17-5-4-14-7-17/h4-7,18H,1-3H2,(H2,13,16)
InChIKeyUWHCJQAFLYJJPY-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.85
Rot. Bonds2

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

N'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 76916670) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID76916670
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1-n1ccnc1)CCC2
InChIInChI=1S/C12H13N5O/c13-11(16-18)9-6-8-2-1-3-10(8)15-12(9)17-5-4-14-7-17/h4-7,18H,1-3H2,(H2,13,16)
InChIKeyUWHCJQAFLYJJPY-UHFFFAOYSA-N
XLogP0.85
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.85
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-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 76916670) is N'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is NC(=NO)c1cc2c(nc1-n1ccnc1)CCC2.
What is the InChIKey of N'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is UWHCJQAFLYJJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-11(16-18)9-6-8-2-1-3-10(8)15-12(9)17-5-4-14-7-17/h4-7,18H,1-3H2,(H2,13,16).
What are the key properties of N'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
N'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 243.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 76916670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).