4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide

C12H20N4O2 — CID 136930444

IUPAC4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCCOC(C)CNCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C12H20N4O2/c1-3-18-9(2)7-14-8-10-4-5-15-11(6-10)12(13)16-17/h4-6,9,14,17H,3,7-8H2,1-2H3,(H2,13,16)
InChIKeyWVSKJWWEKMGYCJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.69
Rot. Bonds7

About 4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide

4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136930444) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136930444
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCCOC(C)CNCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C12H20N4O2/c1-3-18-9(2)7-14-8-10-4-5-15-11(6-10)12(13)16-17/h4-6,9,14,17H,3,7-8H2,1-2H3,(H2,13,16)
InChIKeyWVSKJWWEKMGYCJ-UHFFFAOYSA-N
XLogP0.69
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.69
H-Bond Donors ≤ 53
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

N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
CID 136920360
N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide
CID 136842372
N'-hydroxy-4-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711900
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136960720
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
CID 136987934
N-tert-butyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]acetamide
CID 136965485
N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide
CID 136811550
N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide
CID 136896845
3-chloro-4-[(2-ethoxypropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667458
N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115655535
N'-hydroxy-4-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboximidamide
CID 136805792

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 136930444) is 4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide is CCOC(C)CNCc1ccnc(/C(N)=N/O)c1.
What is the InChIKey of 4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is WVSKJWWEKMGYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-18-9(2)7-14-8-10-4-5-15-11(6-10)12(13)16-17/h4-6,9,14,17H,3,7-8H2,1-2H3,(H2,13,16).
What are the key properties of 4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 252.32 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136930444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).