4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide

C16H18N2O2 — CID 18109389

IUPAC4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ncccc2O)cc1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)12-8-6-11(7-9-12)15(20)18-14-13(19)5-4-10-17-14/h4-10,19H,1-3H3,(H,17,18,20)
InChIKeyJEDFAUDSPZDVTL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.34
Rot. Bonds2

About 4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide

4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide (PubChem CID 18109389) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide
PubChem CID18109389
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ncccc2O)cc1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)12-8-6-11(7-9-12)15(20)18-14-13(19)5-4-10-17-14/h4-10,19H,1-3H3,(H,17,18,20)
InChIKeyJEDFAUDSPZDVTL-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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide (CID 18109389) is 4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ncccc2O)cc1.
What is the InChIKey of 4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide?
The InChIKey is JEDFAUDSPZDVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)12-8-6-11(7-9-12)15(20)18-14-13(19)5-4-10-17-14/h4-10,19H,1-3H3,(H,17,18,20).
What are the key properties of 4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide?
4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide 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 4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide is sourced from PubChem (CID 18109389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).