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

C16H20N4O — CID 76883735

IUPACN'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide
SMILESCN(CCc1ccncc1)Cc1ccccc1C(N)=NO
InChIInChI=1S/C16H20N4O/c1-20(11-8-13-6-9-18-10-7-13)12-14-4-2-3-5-15(14)16(17)19-21/h2-7,9-10,21H,8,11-12H2,1H3,(H2,17,19)
InChIKeyGICQZGNCHCMBLY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.85
Rot. Bonds6

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

N'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide (PubChem CID 76883735) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide
PubChem CID76883735
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide
SMILESCN(CCc1ccncc1)Cc1ccccc1C(N)=NO
InChIInChI=1S/C16H20N4O/c1-20(11-8-13-6-9-18-10-7-13)12-14-4-2-3-5-15(14)16(17)19-21/h2-7,9-10,21H,8,11-12H2,1H3,(H2,17,19)
InChIKeyGICQZGNCHCMBLY-UHFFFAOYSA-N
XLogP1.85
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.85
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]benzenecarboximidamide
CID 76883719
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 54945558
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486668
3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116601
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904227
N'-hydroxy-2-[[methyl(oxan-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 76951557
2-[2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160100
2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76929854
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 54945465
N-(1H-indol-4-ylmethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 86815165

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide (CID 76883735) is N'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide is CN(CCc1ccncc1)Cc1ccccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is GICQZGNCHCMBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(11-8-13-6-9-18-10-7-13)12-14-4-2-3-5-15(14)16(17)19-21/h2-7,9-10,21H,8,11-12H2,1H3,(H2,17,19).
What are the key properties of N'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 284.36 g/mol, XLogP of 1.85, 6 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]methyl]benzenecarboximidamide is sourced from PubChem (CID 76883735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).