N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide

C15H18N4O — CID 76979072

IUPACN'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide
SMILESCc1ccc(N(C)Cc2cccc(C(N)=NO)c2)nc1
InChIInChI=1S/C15H18N4O/c1-11-6-7-14(17-9-11)19(2)10-12-4-3-5-13(8-12)15(16)18-20/h3-9,20H,10H2,1-2H3,(H2,16,18)
InChIKeyGFVIQINJWNDSQJ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.12
Rot. Bonds4

About N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide

N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide (PubChem CID 76979072) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide
PubChem CID76979072
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide
SMILESCc1ccc(N(C)Cc2cccc(C(N)=NO)c2)nc1
InChIInChI=1S/C15H18N4O/c1-11-6-7-14(17-9-11)19(2)10-12-4-3-5-13(8-12)15(16)18-20/h3-9,20H,10H2,1-2H3,(H2,16,18)
InChIKeyGFVIQINJWNDSQJ-UHFFFAOYSA-N
XLogP2.12
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.12
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

3-[[(5-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114869106
6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76903782
N'-hydroxy-3-[[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzenecarboximidamide
CID 77059764
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114786461
3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 79713240
3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide
CID 75421846
3-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 104797610
3-[[(3-chlorophenyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76903702
N'-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarboximidamide
CID 77009557
3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55142319
3-[[methyl-(5-methylpyridazin-3-yl)amino]methyl]benzenecarbothioamide
CID 106549304
N'-hydroxy-3-[[methyl(pentan-2-yl)amino]methyl]benzenecarboximidamide
CID 43572156

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide (CID 76979072) is N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide is Cc1ccc(N(C)Cc2cccc(C(N)=NO)c2)nc1.
What is the InChIKey of N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide?
The InChIKey is GFVIQINJWNDSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-6-7-14(17-9-11)19(2)10-12-4-3-5-13(8-12)15(16)18-20/h3-9,20H,10H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide has a molecular weight of 270.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 76979072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).