3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide

C14H17ClN4OS — CID 136739374

IUPAC3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide
SMILESCC(C)N(Cc1cccs1)c1nccc(/C(N)=N/O)c1Cl
InChIInChI=1S/C14H17ClN4OS/c1-9(2)19(8-10-4-3-7-21-10)14-12(15)11(5-6-17-14)13(16)18-20/h3-7,9,20H,8H2,1-2H3,(H2,16,18)
InChIKeyGAMXBRKATSNRIU-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.31
Rot. Bonds5

About 3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide

3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide (PubChem CID 136739374) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide
PubChem CID136739374
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide
SMILESCC(C)N(Cc1cccs1)c1nccc(/C(N)=N/O)c1Cl
InChIInChI=1S/C14H17ClN4OS/c1-9(2)19(8-10-4-3-7-21-10)14-12(15)11(5-6-17-14)13(16)18-20/h3-7,9,20H,8H2,1-2H3,(H2,16,18)
InChIKeyGAMXBRKATSNRIU-UHFFFAOYSA-N
XLogP3.31
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.31
H-Bond Donors ≤ 52
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'}

Analyze 3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-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-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 76916135
N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 136906558
2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 61452711
5-bromo-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 114892475
3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
CID 62684451
3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739406
4-bromo-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 114903971
6-chloro-4,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 63271982
2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde
CID 114055506
3-chloro-N'-hydroxy-2-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739301
5-amino-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
CID 61453095
3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102756801

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide (CID 136739374) is 3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide is CC(C)N(Cc1cccs1)c1nccc(/C(N)=N/O)c1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide?
The InChIKey is GAMXBRKATSNRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-9(2)19(8-10-4-3-7-21-10)14-12(15)11(5-6-17-14)13(16)18-20/h3-7,9,20H,8H2,1-2H3,(H2,16,18).
What are the key properties of 3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide?
3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide has a molecular weight of 324.84 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 136739374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).