3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide

C16H19N3O — CID 62894235

IUPAC3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1cc(C)cc(C)c1C
InChIInChI=1S/C16H19N3O/c1-10-7-11(2)12(3)14(8-10)20-9-13-5-4-6-19-15(13)16(17)18/h4-8H,9H2,1-3H3,(H3,17,18)
InChIKeyAUWNEIMCNXEHLO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.87
Rot. Bonds4

About 3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide

3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide (PubChem CID 62894235) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide
PubChem CID62894235
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1cc(C)cc(C)c1C
InChIInChI=1S/C16H19N3O/c1-10-7-11(2)12(3)14(8-10)20-9-13-5-4-6-19-15(13)16(17)18/h4-8H,9H2,1-3H3,(H3,17,18)
InChIKeyAUWNEIMCNXEHLO-UHFFFAOYSA-N
XLogP2.87
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.87
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-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide (CID 62894235) is 3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1COc1cc(C)cc(C)c1C.
What is the InChIKey of 3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide?
The InChIKey is AUWNEIMCNXEHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-7-11(2)12(3)14(8-10)20-9-13-5-4-6-19-15(13)16(17)18/h4-8H,9H2,1-3H3,(H3,17,18).
What are the key properties of 3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide?
3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide has a molecular weight of 269.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62894235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).