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

C13H20N4O — CID 137015363

IUPACN'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide
SMILESCC1CCC(NCc2cccnc2/C(N)=N/O)C1
InChIInChI=1S/C13H20N4O/c1-9-4-5-11(7-9)16-8-10-3-2-6-15-12(10)13(14)17-18/h2-3,6,9,11,16,18H,4-5,7-8H2,1H3,(H2,14,17)
InChIKeyMJLUEQHQUANSNX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds4

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

N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide (PubChem CID 137015363) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide
PubChem CID137015363
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide
SMILESCC1CCC(NCc2cccnc2/C(N)=N/O)C1
InChIInChI=1S/C13H20N4O/c1-9-4-5-11(7-9)16-8-10-3-2-6-15-12(10)13(14)17-18/h2-3,6,9,11,16,18H,4-5,7-8H2,1H3,(H2,14,17)
InChIKeyMJLUEQHQUANSNX-UHFFFAOYSA-N
XLogP1.45
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
H-Bond Donors ≤ 53
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

N'-hydroxy-3-[[(3-methylcyclobutyl)amino]methyl]pyridine-2-carboximidamide
CID 137000485
3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137274717
N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide
CID 136868884
N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide
CID 136746816
3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434
3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137273186
2-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114543904
3-[(but-2-ynylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136954347
cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461
5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 77029815
3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136857168
trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
CID 95376467

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide (CID 137015363) is N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide is CC1CCC(NCc2cccnc2/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide?
The InChIKey is MJLUEQHQUANSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-4-5-11(7-9)16-8-10-3-2-6-15-12(10)13(14)17-18/h2-3,6,9,11,16,18H,4-5,7-8H2,1H3,(H2,14,17).
What are the key properties of N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide?
N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 137015363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).