N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide

C13H16N4O2S — CID 136842372

IUPACN'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(CNCC(O)c2ccsc2)ccn1
InChIInChI=1S/C13H16N4O2S/c14-13(17-19)11-5-9(1-3-16-11)6-15-7-12(18)10-2-4-20-8-10/h1-5,8,12,15,18-19H,6-7H2,(H2,14,17)
InChIKeySDKTVEPLOOSNCZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.06
Rot. Bonds6

About N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide

N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide (PubChem CID 136842372) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide
PubChem CID136842372
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(CNCC(O)c2ccsc2)ccn1
InChIInChI=1S/C13H16N4O2S/c14-13(17-19)11-5-9(1-3-16-11)6-15-7-12(18)10-2-4-20-8-10/h1-5,8,12,15,18-19H,6-7H2,(H2,14,17)
InChIKeySDKTVEPLOOSNCZ-UHFFFAOYSA-N
XLogP1.06
TPSA103.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

Analyze N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanimidamide
CID 106435548
4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136930444
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136960720
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
CID 136920360
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol
CID 102609668
2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol
CID 111440446
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437
N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide
CID 136896845

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide (CID 136842372) is N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide is N/C(=N/O)c1cc(CNCC(O)c2ccsc2)ccn1.
What is the InChIKey of N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide?
The InChIKey is SDKTVEPLOOSNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-13(17-19)11-5-9(1-3-16-11)6-15-7-12(18)10-2-4-20-8-10/h1-5,8,12,15,18-19H,6-7H2,(H2,14,17).
What are the key properties of N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide?
N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide has a molecular weight of 292.36 g/mol, XLogP of 1.06, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136842372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).