3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide

C15H17ClN4O — CID 136739427

IUPAC3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide
SMILESCc1ccc(N(C)c2nccc(/C(N)=N/O)c2Cl)c(C)c1
InChIInChI=1S/C15H17ClN4O/c1-9-4-5-12(10(2)8-9)20(3)15-13(16)11(6-7-18-15)14(17)19-21/h4-8,21H,1-3H3,(H2,17,19)
InChIKeyQQZBNMPZBMILSI-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.21
Rot. Bonds3

About 3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide

3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide (PubChem CID 136739427) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide
PubChem CID136739427
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide
SMILESCc1ccc(N(C)c2nccc(/C(N)=N/O)c2Cl)c(C)c1
InChIInChI=1S/C15H17ClN4O/c1-9-4-5-12(10(2)8-9)20(3)15-13(16)11(6-7-18-15)14(17)19-21/h4-8,21H,1-3H3,(H2,17,19)
InChIKeyQQZBNMPZBMILSI-UHFFFAOYSA-N
XLogP3.21
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.21
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'}

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Related Compounds

3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide
CID 136739430
5-fluoro-N'-hydroxy-2-(N,2,4-trimethylanilino)benzenecarboximidamide
CID 77004251
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-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739406
2-[(3-bromophenyl)methyl-methylamino]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739342
3-fluoro-N'-hydroxy-4-(N,2,4-trimethylanilino)benzenecarboximidamide
CID 76931137
3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739366
3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide
CID 136739272
2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 79073469
3-chloro-N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 136739556
3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide
CID 137006835

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide (CID 136739427) is 3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide is Cc1ccc(N(C)c2nccc(/C(N)=N/O)c2Cl)c(C)c1.
What is the InChIKey of 3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide?
The InChIKey is QQZBNMPZBMILSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-9-4-5-12(10(2)8-9)20(3)15-13(16)11(6-7-18-15)14(17)19-21/h4-8,21H,1-3H3,(H2,17,19).
What are the key properties of 3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide?
3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide has a molecular weight of 304.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide is sourced from PubChem (CID 136739427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).