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

C18H20N2O2 — CID 53239954

IUPAC5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCc1cc(O)cc(C)c1C=Cc1cncc(C(=O)N(C)C)c1
InChIInChI=1S/C18H20N2O2/c1-12-7-16(21)8-13(2)17(12)6-5-14-9-15(11-19-10-14)18(22)20(3)4/h5-11,21H,1-4H3
InChIKeyLPZDPCXVCBSYEC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.28
Rot. Bonds3

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

5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 53239954) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID53239954
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCc1cc(O)cc(C)c1C=Cc1cncc(C(=O)N(C)C)c1
InChIInChI=1S/C18H20N2O2/c1-12-7-16(21)8-13(2)17(12)6-5-14-9-15(11-19-10-14)18(22)20(3)4/h5-11,21H,1-4H3
InChIKeyLPZDPCXVCBSYEC-UHFFFAOYSA-N
XLogP3.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide (CID 53239954) is 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide is Cc1cc(O)cc(C)c1C=Cc1cncc(C(=O)N(C)C)c1.
What is the InChIKey of 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is LPZDPCXVCBSYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-7-16(21)8-13(2)17(12)6-5-14-9-15(11-19-10-14)18(22)20(3)4/h5-11,21H,1-4H3.
What are the key properties of 5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide?
5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 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]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 53239954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).