4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide

C16H20N4O — CID 81273408

IUPAC4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCCN(Cc1ccccn1)c1ccc(/C(N)=N/O)c(C)c1
InChIInChI=1S/C16H20N4O/c1-3-20(11-13-6-4-5-9-18-13)14-7-8-15(12(2)10-14)16(17)19-21/h4-10,21H,3,11H2,1-2H3,(H2,17,19)
InChIKeyLOFKKSLXMSDCBZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.51
Rot. Bonds5

About 4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide

4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide (PubChem CID 81273408) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
PubChem CID81273408
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCCN(Cc1ccccn1)c1ccc(/C(N)=N/O)c(C)c1
InChIInChI=1S/C16H20N4O/c1-3-20(11-13-6-4-5-9-18-13)14-7-8-15(12(2)10-14)16(17)19-21/h4-10,21H,3,11H2,1-2H3,(H2,17,19)
InChIKeyLOFKKSLXMSDCBZ-UHFFFAOYSA-N
XLogP2.51
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.51
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

4-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81272941
3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 82786091
5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 76994503
N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
CID 81273309
1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 103590580
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534
4-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81274312
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
2-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-3-fluorobenzenecarboximidamide
CID 107536550
2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939093
(1R)-1-[5-[ethyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132096

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide?
The IUPAC name of 4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide (CID 81273408) is 4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide is CCN(Cc1ccccn1)c1ccc(/C(N)=N/O)c(C)c1.
What is the InChIKey of 4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide?
The InChIKey is LOFKKSLXMSDCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-20(11-13-6-4-5-9-18-13)14-7-8-15(12(2)10-14)16(17)19-21/h4-10,21H,3,11H2,1-2H3,(H2,17,19).
What are the key properties of 4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide?
4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81273408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).