5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide

C16H16N2O2 — CID 53239975

IUPAC5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide
SMILESCc1cc(O)cc(C)c1C=Cc1cncc(C(N)=O)c1
InChIInChI=1S/C16H16N2O2/c1-10-5-14(19)6-11(2)15(10)4-3-12-7-13(16(17)20)9-18-8-12/h3-9,19H,1-2H3,(H2,17,20)
InChIKeyWJVCASAEBZAPDS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.67
Rot. Bonds3

About 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide

5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide (PubChem CID 53239975) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide
PubChem CID53239975
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide
SMILESCc1cc(O)cc(C)c1C=Cc1cncc(C(N)=O)c1
InChIInChI=1S/C16H16N2O2/c1-10-5-14(19)6-11(2)15(10)4-3-12-7-13(16(17)20)9-18-8-12/h3-9,19H,1-2H3,(H2,17,20)
InChIKeyWJVCASAEBZAPDS-UHFFFAOYSA-N
XLogP2.67
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide (CID 53239975) is 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide is Cc1cc(O)cc(C)c1C=Cc1cncc(C(N)=O)c1.
What is the InChIKey of 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide?
The InChIKey is WJVCASAEBZAPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-5-14(19)6-11(2)15(10)4-3-12-7-13(16(17)20)9-18-8-12/h3-9,19H,1-2H3,(H2,17,20).
What are the key properties of 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide?
5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide is sourced from PubChem (CID 53239975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).