3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide

C14H15N3O2 — CID 103567747

IUPAC3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCc2cccnc2)c1
InChIInChI=1S/C14H15N3O2/c1-18-12-5-11(14(15)16)6-13(7-12)19-9-10-3-2-4-17-8-10/h2-8H,9H2,1H3,(H3,15,16)
InChIKeyGTKHNKKWHBHXJA-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.95
Rot. Bonds5

About 3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide

3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide (PubChem CID 103567747) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide
PubChem CID103567747
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCc2cccnc2)c1
InChIInChI=1S/C14H15N3O2/c1-18-12-5-11(14(15)16)6-13(7-12)19-9-10-3-2-4-17-8-10/h2-8H,9H2,1H3,(H3,15,16)
InChIKeyGTKHNKKWHBHXJA-UHFFFAOYSA-N
XLogP1.95
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.95
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'}

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Related Compounds

4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
3-methoxy-5-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 103567774
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567720
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
CID 24696796
3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567773
(2S)-N-[[4-carbamimidoyl-2-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(2,6-difluoro-4-methoxyphenyl)-2-methoxyacetamide;hydrochloride
CID 69290928
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
3-[(7-methoxynaphthalen-2-yl)oxymethyl]pyridine
CID 166203848
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
CID 62336532
3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide
CID 82253908

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide (CID 103567747) is 3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(OC)cc(OCc2cccnc2)c1.
What is the InChIKey of 3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is GTKHNKKWHBHXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-18-12-5-11(14(15)16)6-13(7-12)19-9-10-3-2-4-17-8-10/h2-8H,9H2,1H3,(H3,15,16).
What are the key properties of 3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide?
3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 257.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 103567747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).