1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one

C20H25NO — CID 134971601

IUPAC1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one
SMILESCCC(=O)CCc1ccc(C(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C20H25NO/c1-5-17(22)13-11-16-12-14-18(20(2,3)4)21-19(16)15-9-7-6-8-10-15/h6-10,12,14H,5,11,13H2,1-4H3
InChIKeyBBBXHWVTDABHAD-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.96
Rot. Bonds5

About 1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one

1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one (PubChem CID 134971601) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one.

Molecular Properties

Compound Name1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one
PubChem CID134971601
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one
SMILESCCC(=O)CCc1ccc(C(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C20H25NO/c1-5-17(22)13-11-16-12-14-18(20(2,3)4)21-19(16)15-9-7-6-8-10-15/h6-10,12,14H,5,11,13H2,1-4H3
InChIKeyBBBXHWVTDABHAD-UHFFFAOYSA-N
XLogP4.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one 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-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one?
The IUPAC name of 1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one (CID 134971601) is 1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one.
What is the SMILES notation for 1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one?
The canonical SMILES for 1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one is CCC(=O)CCc1ccc(C(C)(C)C)nc1-c1ccccc1.
What is the InChIKey of 1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one?
The InChIKey is BBBXHWVTDABHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-5-17(22)13-11-16-12-14-18(20(2,3)4)21-19(16)15-9-7-6-8-10-15/h6-10,12,14H,5,11,13H2,1-4H3.
What are the key properties of 1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one?
1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one has a molecular weight of 295.43 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-2-phenyl-3-pyridinyl)pentan-3-one is sourced from PubChem (CID 134971601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).