N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide

C9H14N4O2 — CID 77032863

IUPACN'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide
SMILESCOc1cc(CNCC(N)=NO)ccn1
InChIInChI=1S/C9H14N4O2/c1-15-9-4-7(2-3-12-9)5-11-6-8(10)13-14/h2-4,11,14H,5-6H2,1H3,(H2,10,13)
InChIKeyKKEBETUZDFMMBR-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.07
Rot. Bonds5

About N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide

N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide (PubChem CID 77032863) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide
PubChem CID77032863
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide
SMILESCOc1cc(CNCC(N)=NO)ccn1
InChIInChI=1S/C9H14N4O2/c1-15-9-4-7(2-3-12-9)5-11-6-8(10)13-14/h2-4,11,14H,5-6H2,1H3,(H2,10,13)
InChIKeyKKEBETUZDFMMBR-UHFFFAOYSA-N
XLogP-0.07
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.07
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

N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 77030776
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
N,N-diethyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 55141134
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 79355566
2-[(2-methoxy-4-pyridinyl)methylamino]-N-pentan-2-ylacetamide
CID 62989363
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 62989722
ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
CID 62990254
2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol
CID 81418952
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 62991104
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide (CID 77032863) is N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide is COc1cc(CNCC(N)=NO)ccn1.
What is the InChIKey of N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide?
The InChIKey is KKEBETUZDFMMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-15-9-4-7(2-3-12-9)5-11-6-8(10)13-14/h2-4,11,14H,5-6H2,1H3,(H2,10,13).
What are the key properties of N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide?
N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide has a molecular weight of 210.24 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide is sourced from PubChem (CID 77032863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).