5-(3-tert-butylphenoxy)pyridine-2-carboximidamide

C16H19N3O — CID 115489822

IUPAC5-(3-tert-butylphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(C(C)(C)C)c2)cn1
InChIInChI=1S/C16H19N3O/c1-16(2,3)11-5-4-6-12(9-11)20-13-7-8-14(15(17)18)19-10-13/h4-10H,1-3H3,(H3,17,18)
InChIKeyUVBASNFSWJQOLN-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.46
Rot. Bonds3

About 5-(3-tert-butylphenoxy)pyridine-2-carboximidamide

5-(3-tert-butylphenoxy)pyridine-2-carboximidamide (PubChem CID 115489822) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(3-tert-butylphenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(3-tert-butylphenoxy)pyridine-2-carboximidamide
PubChem CID115489822
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(3-tert-butylphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(C(C)(C)C)c2)cn1
InChIInChI=1S/C16H19N3O/c1-16(2,3)11-5-4-6-12(9-11)20-13-7-8-14(15(17)18)19-10-13/h4-10H,1-3H3,(H3,17,18)
InChIKeyUVBASNFSWJQOLN-UHFFFAOYSA-N
XLogP3.46
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.46
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

5-(3-tert-butylphenoxy)pyridin-2-amine
CID 43351773
5-(4-ethoxyphenoxy)pyridine-2-carboximidamide
CID 115489787
5-(2-methylphenoxy)pyridine-2-carboximidamide
CID 113321278
4-[(3-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882454
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol
CID 83125531
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide
CID 43351837
3-(3-tert-butylphenoxy)propanimidamide
CID 43351835
ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol
CID 177219239
5-(3-methylphenoxy)pyridine-2-carbothioamide
CID 113321030
5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
CID 102702745

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenoxy)pyridine-2-carboximidamide?
The IUPAC name of 5-(3-tert-butylphenoxy)pyridine-2-carboximidamide (CID 115489822) is 5-(3-tert-butylphenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(3-tert-butylphenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 5-(3-tert-butylphenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(Oc2cccc(C(C)(C)C)c2)cn1.
What is the InChIKey of 5-(3-tert-butylphenoxy)pyridine-2-carboximidamide?
The InChIKey is UVBASNFSWJQOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2,3)11-5-4-6-12(9-11)20-13-7-8-14(15(17)18)19-10-13/h4-10H,1-3H3,(H3,17,18).
What are the key properties of 5-(3-tert-butylphenoxy)pyridine-2-carboximidamide?
5-(3-tert-butylphenoxy)pyridine-2-carboximidamide has a molecular weight of 269.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 115489822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).