5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide

C14H22N4O — CID 136990674

IUPAC5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESCCC1CCCN(c2ccc(/C(N)=N/O)nc2)CC1
InChIInChI=1S/C14H22N4O/c1-2-11-4-3-8-18(9-7-11)12-5-6-13(16-10-12)14(15)17-19/h5-6,10-11,19H,2-4,7-9H2,1H3,(H2,15,17)
InChIKeyQAVNKZQIMTVYDZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.19
Rot. Bonds3

About 5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide

5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990674) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990674
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESCCC1CCCN(c2ccc(/C(N)=N/O)nc2)CC1
InChIInChI=1S/C14H22N4O/c1-2-11-4-3-8-18(9-7-11)12-5-6-13(16-10-12)14(15)17-19/h5-6,10-11,19H,2-4,7-9H2,1H3,(H2,15,17)
InChIKeyQAVNKZQIMTVYDZ-UHFFFAOYSA-N
XLogP2.19
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.19
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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Related Compounds

5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 113321639
N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide
CID 136990546
5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990631
5-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136766533
1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
CID 83118890
5-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990715
2-(4-ethylazepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77024659
4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286775
4-chloro-2-(4-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 77024630
2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide
CID 107278749
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990679
5-(4-ethylpiperidin-1-yl)-N,N-dimethylpyridin-2-amine
CID 126717118

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide (CID 136990674) is 5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide is CCC1CCCN(c2ccc(/C(N)=N/O)nc2)CC1.
What is the InChIKey of 5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is QAVNKZQIMTVYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-11-4-3-8-18(9-7-11)12-5-6-13(16-10-12)14(15)17-19/h5-6,10-11,19H,2-4,7-9H2,1H3,(H2,15,17).
What are the key properties of 5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide?
5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).