6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide

C14H20N4O — CID 77065218

IUPAC6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(N2CCCC3CCCC32)nc1
InChIInChI=1S/C14H20N4O/c15-14(17-19)11-6-7-13(16-9-11)18-8-2-4-10-3-1-5-12(10)18/h6-7,9-10,12,19H,1-5,8H2,(H2,15,17)
InChIKeyFTXSXXOYNIBWKU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.95
Rot. Bonds2

About 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 77065218) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide
PubChem CID77065218
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(N2CCCC3CCCC32)nc1
InChIInChI=1S/C14H20N4O/c15-14(17-19)11-6-7-13(16-9-11)18-8-2-4-10-3-1-5-12(10)18/h6-7,9-10,12,19H,1-5,8H2,(H2,15,17)
InChIKeyFTXSXXOYNIBWKU-UHFFFAOYSA-N
XLogP1.95
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.95
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'}

Analyze 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide with MolForge

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Related Compounds

N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24711133
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 24696730
N'-hydroxy-6-pyrrolidin-1-ylpyridine-3-carboximidamide
CID 74313861
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 43590323
(4aR,8aR)-1-(5-chloro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727780
1-[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]ethanamine
CID 102726770
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76986817
2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76928015
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 24695377
N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide
CID 81203418
N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide
CID 43585296
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76928056

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide (CID 77065218) is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide is NC(=NO)c1ccc(N2CCCC3CCCC32)nc1.
What is the InChIKey of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is FTXSXXOYNIBWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-14(17-19)11-6-7-13(16-9-11)18-8-2-4-10-3-1-5-12(10)18/h6-7,9-10,12,19H,1-5,8H2,(H2,15,17).
What are the key properties of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 260.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 77065218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).