6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide

C15H17ClN4O — CID 76979765

IUPAC6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C15H17ClN4O/c1-10(11-3-6-13(16)7-4-11)20(2)14-8-5-12(9-18-14)15(17)19-21/h3-10,21H,1-2H3,(H2,17,19)
InChIKeyYOPCICZZSXGUSJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.03
Rot. Bonds4

About 6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide

6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 76979765) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
PubChem CID76979765
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C15H17ClN4O/c1-10(11-3-6-13(16)7-4-11)20(2)14-8-5-12(9-18-14)15(17)19-21/h3-10,21H,1-2H3,(H2,17,19)
InChIKeyYOPCICZZSXGUSJ-UHFFFAOYSA-N
XLogP3.03
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.03
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

6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboximidamide
CID 62978126
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde
CID 80631934
5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 107083060
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005
6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265833
N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine
CID 60870394
6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide
CID 76930776
6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76903791
N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 70611813
N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 82951012
6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 60984897
5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 81446929

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide (CID 76979765) is 6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide is CC(c1ccc(Cl)cc1)N(C)c1ccc(C(N)=NO)cn1.
What is the InChIKey of 6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is YOPCICZZSXGUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10(11-3-6-13(16)7-4-11)20(2)14-8-5-12(9-18-14)15(17)19-21/h3-10,21H,1-2H3,(H2,17,19).
What are the key properties of 6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 304.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 76979765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).