6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide

C13H19N3O2 — CID 62382075

IUPAC6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1OCC1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-9-2-3-11(12(14)15)13(16-9)18-8-10-4-6-17-7-5-10/h2-3,10H,4-8H2,1H3,(H3,14,15)
InChIKeyKRZVBQNFRQHZIQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.48
Rot. Bonds4

About 6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide

6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide (PubChem CID 62382075) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide
PubChem CID62382075
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1OCC1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-9-2-3-11(12(14)15)13(16-9)18-8-10-4-6-17-7-5-10/h2-3,10H,4-8H2,1H3,(H3,14,15)
InChIKeyKRZVBQNFRQHZIQ-UHFFFAOYSA-N
XLogP1.48
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide?
The IUPAC name of 6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide (CID 62382075) is 6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide?
The canonical SMILES for 6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C)nc1OCC1CCOCC1.
What is the InChIKey of 6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide?
The InChIKey is KRZVBQNFRQHZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-2-3-11(12(14)15)13(16-9)18-8-10-4-6-17-7-5-10/h2-3,10H,4-8H2,1H3,(H3,14,15).
What are the key properties of 6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide?
6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide has a molecular weight of 249.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 62382075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).