1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone

C20H26N2O — CID 135252421

IUPAC1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(C(C)(C)C)cc(-c2cc(C(C)(C)C)ccn2)n1
InChIInChI=1S/C20H26N2O/c1-13(23)16-11-15(20(5,6)7)12-18(22-16)17-10-14(8-9-21-17)19(2,3)4/h8-12H,1-7H3
InChIKeyZNEJNLDUTFROFH-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.94
Rot. Bonds2

About 1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone

1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone (PubChem CID 135252421) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone
PubChem CID135252421
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(C(C)(C)C)cc(-c2cc(C(C)(C)C)ccn2)n1
InChIInChI=1S/C20H26N2O/c1-13(23)16-11-15(20(5,6)7)12-18(22-16)17-10-14(8-9-21-17)19(2,3)4/h8-12H,1-7H3
InChIKeyZNEJNLDUTFROFH-UHFFFAOYSA-N
XLogP4.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone 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 1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone (CID 135252421) is 1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone is CC(=O)c1cc(C(C)(C)C)cc(-c2cc(C(C)(C)C)ccn2)n1.
What is the InChIKey of 1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone?
The InChIKey is ZNEJNLDUTFROFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-13(23)16-11-15(20(5,6)7)12-18(22-16)17-10-14(8-9-21-17)19(2,3)4/h8-12H,1-7H3.
What are the key properties of 1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone?
1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone has a molecular weight of 310.44 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 135252421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).