2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide

C16H19N3O — CID 107665100

IUPAC2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C16H19N3O/c1-3-11(2)12-6-8-13(9-7-12)20-16-14(15(17)18)5-4-10-19-16/h4-11H,3H2,1-2H3,(H3,17,18)
InChIKeyOYRQRQGXYHTPCS-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.67
Rot. Bonds5

About 2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide

2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide (PubChem CID 107665100) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide
PubChem CID107665100
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C16H19N3O/c1-3-11(2)12-6-8-13(9-7-12)20-16-14(15(17)18)5-4-10-19-16/h4-11H,3H2,1-2H3,(H3,17,18)
InChIKeyOYRQRQGXYHTPCS-UHFFFAOYSA-N
XLogP3.67
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.67
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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Related Compounds

2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82253632
N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide
CID 82253649
N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 107668187
2-(2-methylpentoxy)pyridine-3-carboximidamide
CID 103283937
2-hexoxypyridine-3-carboximidamide
CID 29002899
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
CID 82716806
2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-3-carboximidamide
CID 28825165
2-bromo-6-(4-butan-2-ylphenoxy)benzenecarboximidamide
CID 107665095
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
CID 107663628
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide
CID 64601185
2-(2-phenylphenoxy)pyridine-3-carboximidamide
CID 24699943

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide (CID 107665100) is 2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1Oc1ccc(C(C)CC)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide?
The InChIKey is OYRQRQGXYHTPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-11(2)12-6-8-13(9-7-12)20-16-14(15(17)18)5-4-10-19-16/h4-11H,3H2,1-2H3,(H3,17,18).
What are the key properties of 2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide?
2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide has a molecular weight of 269.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 107665100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).