2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide

C15H17ClN4O — CID 76916154

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(N(C)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O/c1-10-3-8-13(14(17)19-21)15(18-10)20(2)9-11-4-6-12(16)7-5-11/h3-8,21H,9H2,1-2H3,(H2,17,19)
InChIKeyAEEUSKQJDCAUMP-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.77
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76916154) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76916154
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(N(C)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O/c1-10-3-8-13(14(17)19-21)15(18-10)20(2)9-11-4-6-12(16)7-5-11/h3-8,21H,9H2,1-2H3,(H2,17,19)
InChIKeyAEEUSKQJDCAUMP-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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

2-[(4-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916146
N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide
CID 76916150
2-[(4-bromophenyl)methyl-methylamino]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944640
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 53472036
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 6295052
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916149
3-chloro-N'-hydroxy-2-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739301
3-chloro-N'-hydroxy-2-[methyl(pyridin-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739305
2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916265
2-[(3-bromophenyl)methyl-methylamino]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739342
2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine
CID 81131729
3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739336

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76916154) is 2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(N(C)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is AEEUSKQJDCAUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10-3-8-13(14(17)19-21)15(18-10)20(2)9-11-4-6-12(16)7-5-11/h3-8,21H,9H2,1-2H3,(H2,17,19).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 304.78 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).