N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide

C15H18N4O — CID 76883719

IUPACN'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
SMILESCN(CCc1ccncc1)c1ccccc1C(N)=NO
InChIInChI=1S/C15H18N4O/c1-19(11-8-12-6-9-17-10-7-12)14-5-3-2-4-13(14)15(16)18-20/h2-7,9-10,20H,8,11H2,1H3,(H2,16,18)
InChIKeyCFDFTOYCTHLAIX-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.86
Rot. Bonds5

About N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide

N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide (PubChem CID 76883719) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
PubChem CID76883719
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
SMILESCN(CCc1ccncc1)c1ccccc1C(N)=NO
InChIInChI=1S/C15H18N4O/c1-19(11-8-12-6-9-17-10-7-12)14-5-3-2-4-13(14)15(16)18-20/h2-7,9-10,20H,8,11H2,1H3,(H2,16,18)
InChIKeyCFDFTOYCTHLAIX-UHFFFAOYSA-N
XLogP1.86
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.86
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

N'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide
CID 76883735
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 77070455
N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide
CID 43294941
4-bromo-N'-hydroxy-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 114904090
2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 77070412
5-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 107928594
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 63673073
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 62492674
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 110454690

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide (CID 76883719) is N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide is CN(CCc1ccncc1)c1ccccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
The InChIKey is CFDFTOYCTHLAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(11-8-12-6-9-17-10-7-12)14-5-3-2-4-13(14)15(16)18-20/h2-7,9-10,20H,8,11H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide has a molecular weight of 270.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 76883719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).