4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide

C12H14N4O2 — CID 136960720

IUPAC4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(CNCc2ccoc2)ccn1
InChIInChI=1S/C12H14N4O2/c13-12(16-17)11-5-9(1-3-15-11)6-14-7-10-2-4-18-8-10/h1-5,8,14,17H,6-7H2,(H2,13,16)
InChIKeyFMMTZZWSSAJGPP-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.06
Rot. Bonds5

About 4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide

4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136960720) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136960720
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(CNCc2ccoc2)ccn1
InChIInChI=1S/C12H14N4O2/c13-12(16-17)11-5-9(1-3-15-11)6-14-7-10-2-4-18-8-10/h1-5,8,14,17H,6-7H2,(H2,13,16)
InChIKeyFMMTZZWSSAJGPP-UHFFFAOYSA-N
XLogP1.06
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.06
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-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide
CID 136811550
N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
CID 136920360
N-tert-butyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]acetamide
CID 136965485
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide
CID 136824793
N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide
CID 136896845
4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136930444
N'-hydroxy-4-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711900
N'-hydroxy-4-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboximidamide
CID 136805792
N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
CID 136987934
N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide
CID 136842372
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346

Frequently Asked Questions

What is the IUPAC name of 4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 136960720) is 4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1cc(CNCc2ccoc2)ccn1.
What is the InChIKey of 4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is FMMTZZWSSAJGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-12(16-17)11-5-9(1-3-15-11)6-14-7-10-2-4-18-8-10/h1-5,8,14,17H,6-7H2,(H2,13,16).
What are the key properties of 4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 246.27 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136960720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).