5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one

C20H28N2O2 — CID 134233435

IUPAC5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one
SMILESCn1cc(C(C)(C)CCn2ccc(C(C)(C)C)cc2=O)ccc1=O
InChIInChI=1S/C20H28N2O2/c1-19(2,3)15-9-11-22(18(24)13-15)12-10-20(4,5)16-7-8-17(23)21(6)14-16/h7-9,11,13-14H,10,12H2,1-6H3
InChIKeyHFODUTZVXLGRLE-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.21
Rot. Bonds4

About 5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one

5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one (PubChem CID 134233435) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one
PubChem CID134233435
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one
SMILESCn1cc(C(C)(C)CCn2ccc(C(C)(C)C)cc2=O)ccc1=O
InChIInChI=1S/C20H28N2O2/c1-19(2,3)15-9-11-22(18(24)13-15)12-10-20(4,5)16-7-8-17(23)21(6)14-16/h7-9,11,13-14H,10,12H2,1-6H3
InChIKeyHFODUTZVXLGRLE-UHFFFAOYSA-N
XLogP3.21
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-Butyl-3,4-ditert-butylpyridin-2-one
CID 20871981
3,4-Ditert-butyl-1-propylpyridin-2-one
CID 23552366
1-(3,3-Dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one
CID 58513899
1-Hexyl-5-propan-2-ylpyridin-2-one
CID 58592774
1-Pentyl-5-propan-2-ylpyridin-2-one
CID 58592786
5-Tert-butyl-1-propylpyridin-2-one
CID 59679435
1-[2-[1-(4-Methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one
CID 67560900
5-Tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one
CID 89639553
5-Tert-butyl-1-[(1-methylcyclopropyl)methyl]pyridin-2-one
CID 89639560
N,N-dimethyl-6-oxo-1-pentylpyridine-3-carboxamide
CID 117828299
10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one
CID 118609755
1-(6-Ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one
CID 118680503

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one (CID 134233435) is 5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one is Cn1cc(C(C)(C)CCn2ccc(C(C)(C)C)cc2=O)ccc1=O.
What is the InChIKey of 5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one?
The InChIKey is HFODUTZVXLGRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2,3)15-9-11-22(18(24)13-15)12-10-20(4,5)16-7-8-17(23)21(6)14-16/h7-9,11,13-14H,10,12H2,1-6H3.
What are the key properties of 5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one?
5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one has a molecular weight of 328.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 134233435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).