N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide

C14H22N4O2 — CID 136746816

IUPACN'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1CNC1CCCCC1CO
InChIInChI=1S/C14H22N4O2/c15-14(18-20)13-10(5-3-7-16-13)8-17-12-6-2-1-4-11(12)9-19/h3,5,7,11-12,17,19-20H,1-2,4,6,8-9H2,(H2,15,18)
InChIKeyHQHIQNWJAAZPSW-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.82
Rot. Bonds5

About N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide

N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide (PubChem CID 136746816) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide
PubChem CID136746816
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1CNC1CCCCC1CO
InChIInChI=1S/C14H22N4O2/c15-14(18-20)13-10(5-3-7-16-13)8-17-12-6-2-1-4-11(12)9-19/h3,5,7,11-12,17,19-20H,1-2,4,6,8-9H2,(H2,15,18)
InChIKeyHQHIQNWJAAZPSW-UHFFFAOYSA-N
XLogP0.82
TPSA103.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.82
H-Bond Donors ≤ 54
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

3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137274717
2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
CID 106361752
3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137273186
N'-hydroxy-3-[[(3-methylcyclobutyl)amino]methyl]pyridine-2-carboximidamide
CID 137000485
N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide
CID 137015363
5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
CID 106361756
[2-[(2-aminophenyl)methylamino]cyclopentyl]methanol
CID 106359504
N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide
CID 136883326
[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
CID 111440219
N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide
CID 136868884
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol
CID 113357915
3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136857168

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide (CID 136746816) is N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide is N/C(=N/O)c1ncccc1CNC1CCCCC1CO.
What is the InChIKey of N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide?
The InChIKey is HQHIQNWJAAZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-14(18-20)13-10(5-3-7-16-13)8-17-12-6-2-1-4-11(12)9-19/h3,5,7,11-12,17,19-20H,1-2,4,6,8-9H2,(H2,15,18).
What are the key properties of N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide?
N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide has a molecular weight of 278.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136746816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).