N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide

C11H18N4O2 — CID 77032726

IUPACN'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide
SMILESCOc1ccc(CNCC(C)C(N)=NO)cn1
InChIInChI=1S/C11H18N4O2/c1-8(11(12)15-16)5-13-6-9-3-4-10(17-2)14-7-9/h3-4,7-8,13,16H,5-6H2,1-2H3,(H2,12,15)
InChIKeyACAKPBZZDZMUKR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.56
Rot. Bonds6

About N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide

N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide (PubChem CID 77032726) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide
PubChem CID77032726
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide
SMILESCOc1ccc(CNCC(C)C(N)=NO)cn1
InChIInChI=1S/C11H18N4O2/c1-8(11(12)15-16)5-13-6-9-3-4-10(17-2)14-7-9/h3-4,7-8,13,16H,5-6H2,1-2H3,(H2,12,15)
InChIKeyACAKPBZZDZMUKR-UHFFFAOYSA-N
XLogP0.56
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025358
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylbutan-1-amine
CID 114936928
1-[(6-methoxy-3-pyridinyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62991515
3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide
CID 104998708
propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate
CID 62990974
1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 114936716

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide (CID 77032726) is N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide is COc1ccc(CNCC(C)C(N)=NO)cn1.
What is the InChIKey of N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide?
The InChIKey is ACAKPBZZDZMUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(11(12)15-16)5-13-6-9-3-4-10(17-2)14-7-9/h3-4,7-8,13,16H,5-6H2,1-2H3,(H2,12,15).
What are the key properties of N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide?
N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide has a molecular weight of 238.29 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide is sourced from PubChem (CID 77032726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).