N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C14H14N4O2 — CID 76916481

IUPACN'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1Oc1cccnc1)CCC2
InChIInChI=1S/C14H14N4O2/c15-13(18-19)11-7-9-3-1-5-12(9)17-14(11)20-10-4-2-6-16-8-10/h2,4,6-8,19H,1,3,5H2,(H2,15,18)
InChIKeySLHFQQRJSZTSIM-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.85
Rot. Bonds3

About N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 76916481) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID76916481
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1Oc1cccnc1)CCC2
InChIInChI=1S/C14H14N4O2/c15-13(18-19)11-7-9-3-1-5-12(9)17-14(11)20-10-4-2-6-16-8-10/h2,4,6-8,19H,1,3,5H2,(H2,15,18)
InChIKeySLHFQQRJSZTSIM-UHFFFAOYSA-N
XLogP1.85
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.85
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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Related Compounds

6-[6-(3-Carbamimidoyl-phenoxy)-pyrazin-2-yloxy]-pyridine-2-carboxamidine
CID 44293746
2-Phenyl-5-pyridin-3-yloxypyridine
CID 73347618
3-(2-Phenylethoxy)-2-pyridin-3-ylpyridine
CID 118735184
2-(Pyridin-3-yloxy)pyridine-4-carboximidamide hydrochloride
CID 47002490
(NZ)-N-[[3-(dimethylamino)pyrrolidin-1-yl]-(6-methyl-2-pyridin-3-yloxy-3-pyridinyl)methylidene]hydroxylamine
CID 56658194
N'-hydroxy-N,6-dimethyl-N-(pyridin-3-ylmethyl)-2-pyridin-3-yloxypyridine-3-carboximidamide
CID 56658329
N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 56659039
N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 56661600
N'-(2,3-dihydro-1H-inden-1-yl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 56661715
(NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine
CID 56661941
(NZ)-N-[(6-methyl-2-pyridin-3-yloxy-3-pyridinyl)-piperidin-1-ylmethylidene]hydroxylamine
CID 56662578
N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 56662816

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 76916481) is N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is NC(=NO)c1cc2c(nc1Oc1cccnc1)CCC2.
What is the InChIKey of N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is SLHFQQRJSZTSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-13(18-19)11-7-9-3-1-5-12(9)17-14(11)20-10-4-2-6-16-8-10/h2,4,6-8,19H,1,3,5H2,(H2,15,18).
What are the key properties of N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 270.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 76916481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).