4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide

C16H19N3O2 — CID 61175204

IUPAC4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OCCOc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-10-12(2)19-16(14(11)15(17)18)21-9-8-20-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H3,17,18)
InChIKeyOEOQVDHLDICLBP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.44
Rot. Bonds6

About 4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide

4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide (PubChem CID 61175204) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
PubChem CID61175204
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OCCOc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-10-12(2)19-16(14(11)15(17)18)21-9-8-20-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H3,17,18)
InChIKeyOEOQVDHLDICLBP-UHFFFAOYSA-N
XLogP2.44
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61177118
2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562382
2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 82824229
5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
CID 61090117
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61176359
4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
CID 61177313
2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 106202063
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
3-(2-phenoxyethoxy)pyrazine-2-carboximidamide
CID 62684730
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175403
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175206

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide?
The IUPAC name of 4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide (CID 61175204) is 4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide?
The canonical SMILES for 4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1OCCOc1ccccc1.
What is the InChIKey of 4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide?
The InChIKey is OEOQVDHLDICLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-10-12(2)19-16(14(11)15(17)18)21-9-8-20-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H3,17,18).
What are the key properties of 4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide?
4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide has a molecular weight of 285.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 61175204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).