3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide

C14H15ClN4O — CID 136739272

IUPAC3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide
SMILESCCN(c1ccccc1)c1nccc(/C(N)=N/O)c1Cl
InChIInChI=1S/C14H15ClN4O/c1-2-19(10-6-4-3-5-7-10)14-12(15)11(8-9-17-14)13(16)18-20/h3-9,20H,2H2,1H3,(H2,16,18)
InChIKeyLKGKSIXEUSXRAZ-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.99
Rot. Bonds4

About 3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide

3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136739272) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide
PubChem CID136739272
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide
SMILESCCN(c1ccccc1)c1nccc(/C(N)=N/O)c1Cl
InChIInChI=1S/C14H15ClN4O/c1-2-19(10-6-4-3-5-7-10)14-12(15)11(8-9-17-14)13(16)18-20/h3-9,20H,2H2,1H3,(H2,16,18)
InChIKeyLKGKSIXEUSXRAZ-UHFFFAOYSA-N
XLogP2.99
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-(N-ethylanilino)-N'-hydroxypyridine-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

3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739406
3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide
CID 136739430
3-chloro-2-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739417
3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739336
3-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739403
3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984250
3-chloro-N'-hydroxy-2-[methyl(pyridin-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739305
3-chloro-N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 136739556
2-[(3-bromophenyl)methyl-methylamino]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739342
3-N-ethyl-3-N-phenylpyrazine-2,3-diamine
CID 102985234
3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739366
3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739374

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide (CID 136739272) is 3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide is CCN(c1ccccc1)c1nccc(/C(N)=N/O)c1Cl.
What is the InChIKey of 3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is LKGKSIXEUSXRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-2-19(10-6-4-3-5-7-10)14-12(15)11(8-9-17-14)13(16)18-20/h3-9,20H,2H2,1H3,(H2,16,18).
What are the key properties of 3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide?
3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 290.75 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136739272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).