N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide

C15H24N4O2 — CID 136883326

IUPACN'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1CNCC1(CO)CCCCC1
InChIInChI=1S/C15H24N4O2/c16-14(19-21)13-12(5-4-8-18-13)9-17-10-15(11-20)6-2-1-3-7-15/h4-5,8,17,20-21H,1-3,6-7,9-11H2,(H2,16,19)
InChIKeyCLXPGOPLSOKFII-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.21
Rot. Bonds6

About N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide

N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide (PubChem CID 136883326) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide
PubChem CID136883326
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1CNCC1(CO)CCCCC1
InChIInChI=1S/C15H24N4O2/c16-14(19-21)13-12(5-4-8-18-13)9-17-10-15(11-20)6-2-1-3-7-15/h4-5,8,17,20-21H,1-3,6-7,9-11H2,(H2,16,19)
InChIKeyCLXPGOPLSOKFII-UHFFFAOYSA-N
XLogP1.21
TPSA103.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.21
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-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136857168
N'-hydroxy-3-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711899
3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137273186
3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137274717
3-[(but-2-ynylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136954347
[1-[(pyridin-2-ylmethylamino)methyl]cyclopentyl]methanol
CID 115358745
3-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136864271
N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide
CID 136746816
N'-hydroxy-3-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyridine-2-carboximidamide
CID 136690664
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 115363234
N'-hydroxy-3-[[(3-methylcyclobutyl)amino]methyl]pyridine-2-carboximidamide
CID 137000485
3-[(2,6-dibromoanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136716818

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide (CID 136883326) is N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide is N/C(=N/O)c1ncccc1CNCC1(CO)CCCCC1.
What is the InChIKey of N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide?
The InChIKey is CLXPGOPLSOKFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c16-14(19-21)13-12(5-4-8-18-13)9-17-10-15(11-20)6-2-1-3-7-15/h4-5,8,17,20-21H,1-3,6-7,9-11H2,(H2,16,19).
What are the key properties of N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide?
N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide has a molecular weight of 292.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136883326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).