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

C15H18N4O2 — CID 77030776

IUPACN'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide
SMILESCOc1cc(CNCc2ccc(C(N)=NO)cc2)ccn1
InChIInChI=1S/C15H18N4O2/c1-21-14-8-12(6-7-18-14)10-17-9-11-2-4-13(5-3-11)15(16)19-20/h2-8,17,20H,9-10H2,1H3,(H2,16,19)
InChIKeyTWUVUFIVKHZDHK-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.47
Rot. Bonds6

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

N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide (PubChem CID 77030776) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide
PubChem CID77030776
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide
SMILESCOc1cc(CNCc2ccc(C(N)=NO)cc2)ccn1
InChIInChI=1S/C15H18N4O2/c1-21-14-8-12(6-7-18-14)10-17-9-11-2-4-13(5-3-11)15(16)19-20/h2-8,17,20H,9-10H2,1H3,(H2,16,19)
InChIKeyTWUVUFIVKHZDHK-UHFFFAOYSA-N
XLogP1.47
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.47
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-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide
CID 77032863
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile
CID 107880215
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 62991104
N'-hydroxy-4-[[(5-methylpyrazin-2-yl)methylamino]methyl]benzenecarboximidamide
CID 77028248
6-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carbothioamide
CID 62989476
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 79355566
2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine
CID 66385805

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide (CID 77030776) is N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide is COc1cc(CNCc2ccc(C(N)=NO)cc2)ccn1.
What is the InChIKey of N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide?
The InChIKey is TWUVUFIVKHZDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-14-8-12(6-7-18-14)10-17-9-11-2-4-13(5-3-11)15(16)19-20/h2-8,17,20H,9-10H2,1H3,(H2,16,19).
What are the key properties of N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide?
N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide has a molecular weight of 286.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77030776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).