N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide

C13H20N4O2 — CID 136987934

IUPACN'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
SMILESC=C(C)COCCNCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C13H20N4O2/c1-10(2)9-19-6-5-15-8-11-3-4-16-12(7-11)13(14)17-18/h3-4,7,15,18H,1,5-6,8-9H2,2H3,(H2,14,17)
InChIKeyGIKDADIRTWIFAF-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.86
Rot. Bonds8

About N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide

N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide (PubChem CID 136987934) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
PubChem CID136987934
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
SMILESC=C(C)COCCNCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C13H20N4O2/c1-10(2)9-19-6-5-15-8-11-3-4-16-12(7-11)13(14)17-18/h3-4,7,15,18H,1,5-6,8-9H2,2H3,(H2,14,17)
InChIKeyGIKDADIRTWIFAF-UHFFFAOYSA-N
XLogP0.86
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
CID 136920360
N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide
CID 136896845
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136930444
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136960720
N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide
CID 136824793
N'-hydroxy-4-[2-[2-(2-methylprop-2-enoxy)ethylamino]ethoxy]benzenecarboximidamide
CID 114468068
N-tert-butyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]acetamide
CID 136965485
N'-hydroxy-4-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711900
N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide
CID 136811550
N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136762569
2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 114467087

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide (CID 136987934) is N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide is C=C(C)COCCNCc1ccnc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide?
The InChIKey is GIKDADIRTWIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(2)9-19-6-5-15-8-11-3-4-16-12(7-11)13(14)17-18/h3-4,7,15,18H,1,5-6,8-9H2,2H3,(H2,14,17).
What are the key properties of N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide?
N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of 0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136987934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).