2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide

C18H15ClN4O2 — CID 56679059

IUPAC2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide
SMILESON/C(=N\Cc1ccccn1)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4O2/c19-13-6-8-15(9-7-13)25-18-16(5-3-11-21-18)17(23-24)22-12-14-4-1-2-10-20-14/h1-11,24H,12H2,(H,22,23)
InChIKeyBJXRUZIIVOTFHI-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.85
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide

2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide (PubChem CID 56679059) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide
PubChem CID56679059
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide
SMILESON/C(=N\Cc1ccccn1)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4O2/c19-13-6-8-15(9-7-13)25-18-16(5-3-11-21-18)17(23-24)22-12-14-4-1-2-10-20-14/h1-11,24H,12H2,(H,22,23)
InChIKeyBJXRUZIIVOTFHI-UHFFFAOYSA-N
XLogP3.85
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.85
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide
CID 56677223
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide
CID 56673227
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
S-(4-chlorophenyl) 2-phenoxypyridine-3-carbothioate
CID 2797684
2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide
CID 10280432
2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
CID 2814314
2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 44757541
1-amino-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 86736541
2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide
CID 2814785
methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485697
1-ethyl-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970638

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide (CID 56679059) is 2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide is ON/C(=N\Cc1ccccn1)c1cccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide?
The InChIKey is BJXRUZIIVOTFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-13-6-8-15(9-7-13)25-18-16(5-3-11-21-18)17(23-24)22-12-14-4-1-2-10-20-14/h1-11,24H,12H2,(H,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide?
2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide has a molecular weight of 354.80 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 56679059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).