2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride

C16H20ClN3O — CID 82253632

IUPAC2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccnc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H19N3O.ClH/c1-16(2,3)11-6-8-12(9-7-11)20-15-13(14(17)18)5-4-10-19-15;/h4-10H,1-3H3,(H3,17,18);1H
InChIKeyCBDFHHUCIVETLW-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.88
Rot. Bonds3

About 2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride

2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride (PubChem CID 82253632) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride
PubChem CID82253632
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccnc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H19N3O.ClH/c1-16(2,3)11-6-8-12(9-7-11)20-15-13(14(17)18)5-4-10-19-15;/h4-10H,1-3H3,(H3,17,18);1H
InChIKeyCBDFHHUCIVETLW-UHFFFAOYSA-N
XLogP3.88
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.88
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

N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide
CID 82253649
2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide
CID 107665100
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-3-carboximidamide
CID 28825165
2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
CID 82716806
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide
CID 64601185
2-(2-phenylphenoxy)pyridine-3-carboximidamide
CID 24699943
2-(2-nitrophenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82240737
2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 175967809
2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 24699862
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride?
The IUPAC name of 2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride (CID 82253632) is 2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride.
What is the SMILES notation for 2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride?
The canonical SMILES for 2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccnc1Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride?
The InChIKey is CBDFHHUCIVETLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c1-16(2,3)11-6-8-12(9-7-11)20-15-13(14(17)18)5-4-10-19-15;/h4-10H,1-3H3,(H3,17,18);1H.
What are the key properties of 2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride?
2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride is sourced from PubChem (CID 82253632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).