3-(pyridin-3-ylmethoxy)benzenecarboximidamide

C13H13N3O — CID 24699340

IUPAC3-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C13H13N3O/c14-13(15)11-4-1-5-12(7-11)17-9-10-3-2-6-16-8-10/h1-8H,9H2,(H3,14,15)
InChIKeyMBPBGANGNPZIAM-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.94
Rot. Bonds4

About 3-(pyridin-3-ylmethoxy)benzenecarboximidamide

3-(pyridin-3-ylmethoxy)benzenecarboximidamide (PubChem CID 24699340) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-(pyridin-3-ylmethoxy)benzenecarboximidamide
PubChem CID24699340
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C13H13N3O/c14-13(15)11-4-1-5-12(7-11)17-9-10-3-2-6-16-8-10/h1-8H,9H2,(H3,14,15)
InChIKeyMBPBGANGNPZIAM-UHFFFAOYSA-N
XLogP1.94
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 3-(pyridin-3-ylmethoxy)benzenecarboximidamide (CID 24699340) is 3-(pyridin-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 3-(pyridin-3-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of 3-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is MBPBGANGNPZIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-13(15)11-4-1-5-12(7-11)17-9-10-3-2-6-16-8-10/h1-8H,9H2,(H3,14,15).
What are the key properties of 3-(pyridin-3-ylmethoxy)benzenecarboximidamide?
3-(pyridin-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 227.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 24699340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).