4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide

C16H20N4O — CID 81036917

IUPAC4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cccc(N(C)C)c2)cc(C)nc1C
InChIInChI=1S/C16H20N4O/c1-10-8-14(15(16(17)18)11(2)19-10)21-13-7-5-6-12(9-13)20(3)4/h5-9H,1-4H3,(H3,17,18)
InChIKeyJIYJRDJUCLIYPA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.84
Rot. Bonds4

About 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide

4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81036917) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81036917
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cccc(N(C)C)c2)cc(C)nc1C
InChIInChI=1S/C16H20N4O/c1-10-8-14(15(16(17)18)11(2)19-10)21-13-7-5-6-12(9-13)20(3)4/h5-9H,1-4H3,(H3,17,18)
InChIKeyJIYJRDJUCLIYPA-UHFFFAOYSA-N
XLogP2.84
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.84
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 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide (CID 81036917) is 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(Oc2cccc(N(C)C)c2)cc(C)nc1C.
What is the InChIKey of 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is JIYJRDJUCLIYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-8-14(15(16(17)18)11(2)19-10)21-13-7-5-6-12(9-13)20(3)4/h5-9H,1-4H3,(H3,17,18).
What are the key properties of 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide?
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81036917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).