N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide

C15H18N4O — CID 24708680

IUPACN'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide
SMILESN/C(CCN(Cc1ccccn1)c1ccccc1)=N\O
InChIInChI=1S/C15H18N4O/c16-15(18-20)9-11-19(14-7-2-1-3-8-14)12-13-6-4-5-10-17-13/h1-8,10,20H,9,11-12H2,(H2,16,18)
InChIKeyMODYNOCEABRCFA-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.22
Rot. Bonds6

About N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide

N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide (PubChem CID 24708680) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide
PubChem CID24708680
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide
SMILESN/C(CCN(Cc1ccccn1)c1ccccc1)=N\O
InChIInChI=1S/C15H18N4O/c16-15(18-20)9-11-19(14-7-2-1-3-8-14)12-13-6-4-5-10-17-13/h1-8,10,20H,9,11-12H2,(H2,16,18)
InChIKeyMODYNOCEABRCFA-UHFFFAOYSA-N
XLogP2.22
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.22
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-[N-(pyridin-2-ylmethyl)anilino]propanethioamide
CID 24711207
N'-hydroxy-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanimidamide
CID 54998003
N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide
CID 94230138
N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide
CID 43185342
N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide
CID 24710523
N'-hydroxy-3-(N-(3-methylpyrazin-2-yl)anilino)propanimidamide
CID 83064180
N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide
CID 76944452
3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide
CID 76936298
N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide
CID 114570749
N'-hydroxy-3-(N-(5-iodopyrimidin-2-yl)anilino)propanimidamide
CID 116648342
N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate
CID 67789872
N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide
CID 106725316

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide (CID 24708680) is N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide is N/C(CCN(Cc1ccccn1)c1ccccc1)=N\O.
What is the InChIKey of N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide?
The InChIKey is MODYNOCEABRCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-15(18-20)9-11-19(14-7-2-1-3-8-14)12-13-6-4-5-10-17-13/h1-8,10,20H,9,11-12H2,(H2,16,18).
What are the key properties of N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide?
N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide has a molecular weight of 270.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide is sourced from PubChem (CID 24708680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).