N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide

C14H16N4OS — CID 136759655

IUPACN'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide
SMILESCSc1ccccc1NCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C14H16N4OS/c1-20-13-5-3-2-4-11(13)17-9-10-6-7-16-12(8-10)14(15)18-19/h2-8,17,19H,9H2,1H3,(H2,15,18)
InChIKeyKGJGJOHWEFFCPF-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.51
Rot. Bonds5

About N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide

N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide (PubChem CID 136759655) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide
PubChem CID136759655
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide
SMILESCSc1ccccc1NCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C14H16N4OS/c1-20-13-5-3-2-4-11(13)17-9-10-6-7-16-12(8-10)14(15)18-19/h2-8,17,19H,9H2,1H3,(H2,15,18)
InChIKeyKGJGJOHWEFFCPF-UHFFFAOYSA-N
XLogP2.51
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.51
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-3-[(2-methylsulfanylanilino)methyl]benzenecarboximidamide
CID 107645067
N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide
CID 107645075
N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide
CID 136896845
N'-hydroxy-4-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboximidamide
CID 136805792
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
CID 136920360
4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136687951
N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136762569
4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136930444
N-tert-butyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]acetamide
CID 136965485
4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136852795
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136960720

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide (CID 136759655) is N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide is CSc1ccccc1NCc1ccnc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide?
The InChIKey is KGJGJOHWEFFCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-20-13-5-3-2-4-11(13)17-9-10-6-7-16-12(8-10)14(15)18-19/h2-8,17,19H,9H2,1H3,(H2,15,18).
What are the key properties of N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide?
N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide has a molecular weight of 288.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136759655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).