N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide

C15H18N4O — CID 79267976

IUPACN'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
SMILESCc1cccc(CN(C)c2ccc(/C(N)=N/O)cc2)n1
InChIInChI=1S/C15H18N4O/c1-11-4-3-5-13(17-11)10-19(2)14-8-6-12(7-9-14)15(16)18-20/h3-9,20H,10H2,1-2H3,(H2,16,18)
InChIKeyPRSNJFQGXOZVOV-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.12
Rot. Bonds4

About N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide

N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide (PubChem CID 79267976) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
PubChem CID79267976
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
SMILESCc1cccc(CN(C)c2ccc(/C(N)=N/O)cc2)n1
InChIInChI=1S/C15H18N4O/c1-11-4-3-5-13(17-11)10-19(2)14-8-6-12(7-9-14)15(16)18-20/h3-9,20H,10H2,1-2H3,(H2,16,18)
InChIKeyPRSNJFQGXOZVOV-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

N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
CID 81273309
4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 104797612
N'-hydroxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]ethanimidamide
CID 79267709
N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 112660005
4-[(2-chloro-4-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 106863831
5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963296
3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 102814188
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 114293119
4-[(3-bromo-5-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79700948
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 102824317
N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 81277355
N'-hydroxy-4-[methyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]benzenecarboximidamide
CID 77098710

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide (CID 79267976) is N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide is Cc1cccc(CN(C)c2ccc(/C(N)=N/O)cc2)n1.
What is the InChIKey of N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide?
The InChIKey is PRSNJFQGXOZVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-4-3-5-13(17-11)10-19(2)14-8-6-12(7-9-14)15(16)18-20/h3-9,20H,10H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide?
N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]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-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 79267976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).