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

C10H16N4O — CID 102881366

IUPACN'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide
SMILESCc1cncc(CN(C)C/C(N)=N/O)c1
InChIInChI=1S/C10H16N4O/c1-8-3-9(5-12-4-8)6-14(2)7-10(11)13-15/h3-5,15H,6-7H2,1-2H3,(H2,11,13)
InChIKeyCRXILFFGGVLEGT-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.57
Rot. Bonds4

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

N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide (PubChem CID 102881366) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide
PubChem CID102881366
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide
SMILESCc1cncc(CN(C)C/C(N)=N/O)c1
InChIInChI=1S/C10H16N4O/c1-8-3-9(5-12-4-8)6-14(2)7-10(11)13-15/h3-5,15H,6-7H2,1-2H3,(H2,11,13)
InChIKeyCRXILFFGGVLEGT-UHFFFAOYSA-N
XLogP0.57
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.57
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

2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76936309
2-[(5-methyl-3-pyridinyl)methyl]guanidine
CID 130772692
2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
CID 113454292
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide
CID 77072803
N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102877835
4-[[methyl-[(5-methyl-3-pyridinyl)methyl]amino]methyl]benzoic acid
CID 102877423
2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzenecarbothioamide
CID 102881207
2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 103038141
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 77075569
2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
CID 102794628
N'-hydroxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]ethanimidamide
CID 79267709
2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 102879133

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide (CID 102881366) is N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide is Cc1cncc(CN(C)C/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide?
The InChIKey is CRXILFFGGVLEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-3-9(5-12-4-8)6-14(2)7-10(11)13-15/h3-5,15H,6-7H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide?
N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide has a molecular weight of 208.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide is sourced from PubChem (CID 102881366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).