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

C15H17N3O — CID 62926157

IUPAC4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2cccc(C(C)C)c2)ccn1
InChIInChI=1S/C15H17N3O/c1-10(2)11-4-3-5-12(8-11)19-13-6-7-18-14(9-13)15(16)17/h3-10H,1-2H3,(H3,16,17)
InChIKeyHAKFZNMTDRRIJG-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.28
Rot. Bonds4

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

4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide (PubChem CID 62926157) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide
PubChem CID62926157
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2cccc(C(C)C)c2)ccn1
InChIInChI=1S/C15H17N3O/c1-10(2)11-4-3-5-12(8-11)19-13-6-7-18-14(9-13)15(16)17/h3-10H,1-2H3,(H3,16,17)
InChIKeyHAKFZNMTDRRIJG-UHFFFAOYSA-N
XLogP3.28
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.28
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

4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440
3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide
CID 62683543
3-(3-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514169
4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide
CID 62925834
4-(2-ethoxyphenoxy)pyridine-2-carboximidamide
CID 62926158
4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
CID 55155138
4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide
CID 62308166
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
2-(3-propan-2-ylphenoxy)pyrimidine-4-carbothioamide
CID 107548423
4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide
CID 62925467
4-(2-methoxy-4-methylphenoxy)pyridine-2-carboximidamide
CID 62925806
N'-hydroxy-2-(3-propan-2-ylphenoxy)pyrimidine-4-carboximidamide
CID 136907170

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide?
The IUPAC name of 4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide (CID 62926157) is 4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(Oc2cccc(C(C)C)c2)ccn1.
What is the InChIKey of 4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide?
The InChIKey is HAKFZNMTDRRIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(2)11-4-3-5-12(8-11)19-13-6-7-18-14(9-13)15(16)17/h3-10H,1-2H3,(H3,16,17).
What are the key properties of 4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide?
4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 62926157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).