N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide

C16H18N2O2 — CID 58148107

IUPACN-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccncc2)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)12-4-5-13(14(19)10-12)18-15(20)11-6-8-17-9-7-11/h4-10,19H,1-3H3,(H,18,20)
InChIKeyVKWPRGZNCUAEDU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.34
Rot. Bonds2

About N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide

N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide (PubChem CID 58148107) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide
PubChem CID58148107
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccncc2)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)12-4-5-13(14(19)10-12)18-15(20)11-6-8-17-9-7-11/h4-10,19H,1-3H3,(H,18,20)
InChIKeyVKWPRGZNCUAEDU-UHFFFAOYSA-N
XLogP3.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide (CID 58148107) is N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccncc2)c(O)c1.
What is the InChIKey of N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide?
The InChIKey is VKWPRGZNCUAEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)12-4-5-13(14(19)10-12)18-15(20)11-6-8-17-9-7-11/h4-10,19H,1-3H3,(H,18,20).
What are the key properties of N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide?
N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-hydroxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 58148107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).