N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide

C15H18N4O2 — CID 77026755

IUPACN'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
SMILESCOc1ncccc1CNCc1ccccc1C(N)=NO
InChIInChI=1S/C15H18N4O2/c1-21-15-12(6-4-8-18-15)10-17-9-11-5-2-3-7-13(11)14(16)19-20/h2-8,17,20H,9-10H2,1H3,(H2,16,19)
InChIKeyWVJOPOHKIFLPDZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.47
Rot. Bonds6

About N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide

N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide (PubChem CID 77026755) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
PubChem CID77026755
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
SMILESCOc1ncccc1CNCc1ccccc1C(N)=NO
InChIInChI=1S/C15H18N4O2/c1-21-15-12(6-4-8-18-15)10-17-9-11-5-2-3-7-13(11)14(16)19-20/h2-8,17,20H,9-10H2,1H3,(H2,16,19)
InChIKeyWVJOPOHKIFLPDZ-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-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide
CID 106896370
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide
CID 103369453
N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 24711030
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945
N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
N'-hydroxy-2-[(thiophen-2-ylmethylamino)methyl]benzenecarboximidamide
CID 77029595
2-[[(2-ethoxy-2-methylpropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114942647
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684
2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77030304

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide (CID 77026755) is N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide is COc1ncccc1CNCc1ccccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide?
The InChIKey is WVJOPOHKIFLPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-15-12(6-4-8-18-15)10-17-9-11-5-2-3-7-13(11)14(16)19-20/h2-8,17,20H,9-10H2,1H3,(H2,16,19).
What are the key properties of N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide?
N'-hydroxy-2-[[(2-methoxy-3-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-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77026755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).