N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane

C23H33N5O2 — CID 142299234

IUPACN'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane
SMILESCC(C)Oc1cc(O)ccc1/N=C(\N)c1ccccn1.CCCCC.c1c[nH]cn1
InChIInChI=1S/C15H17N3O2.C5H12.C3H4N2/c1-10(2)20-14-9-11(19)6-7-12(14)18-15(16)13-5-3-4-8-17-13;1-3-5-4-2;1-2-5-3-4-1/h3-10,19H,1-2H3,(H2,16,18);3-5H2,1-2H3;1-3H,(H,4,5)
InChIKeyUGYSUJBRGXEJSY-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.22
Rot. Bonds6

About N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane

N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane (PubChem CID 142299234) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane.

Molecular Properties

Compound NameN'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane
PubChem CID142299234
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane
SMILESCC(C)Oc1cc(O)ccc1/N=C(\N)c1ccccn1.CCCCC.c1c[nH]cn1
InChIInChI=1S/C15H17N3O2.C5H12.C3H4N2/c1-10(2)20-14-9-11(19)6-7-12(14)18-15(16)13-5-3-4-8-17-13;1-3-5-4-2;1-2-5-3-4-1/h3-10,19H,1-2H3,(H2,16,18);3-5H2,1-2H3;1-3H,(H,4,5)
InChIKeyUGYSUJBRGXEJSY-UHFFFAOYSA-N
XLogP5.22
TPSA109.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane?
The IUPAC name of N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane (CID 142299234) is N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane.
What is the SMILES notation for N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane?
The canonical SMILES for N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane is CC(C)Oc1cc(O)ccc1/N=C(\N)c1ccccn1.CCCCC.c1c[nH]cn1.
What is the InChIKey of N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane?
The InChIKey is UGYSUJBRGXEJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.C5H12.C3H4N2/c1-10(2)20-14-9-11(19)6-7-12(14)18-15(16)13-5-3-4-8-17-13;1-3-5-4-2;1-2-5-3-4-1/h3-10,19H,1-2H3,(H2,16,18);3-5H2,1-2H3;1-3H,(H,4,5).
What are the key properties of N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane?
N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane has a molecular weight of 411.55 g/mol, XLogP of 5.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane is sourced from PubChem (CID 142299234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).