1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione

C17H29NO2 — CID 20871977

IUPAC1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione
SMILESCCCCN1C(=O)CC(C(C)(C)C)=C(C(C)(C)C)C1=O
InChIInChI=1S/C17H29NO2/c1-8-9-10-18-13(19)11-12(16(2,3)4)14(15(18)20)17(5,6)7/h8-11H2,1-7H3
InChIKeyCNZGCRVERYBDOY-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.93
Rot. Bonds3

About 1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione

1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione (PubChem CID 20871977) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione
PubChem CID20871977
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione
SMILESCCCCN1C(=O)CC(C(C)(C)C)=C(C(C)(C)C)C1=O
InChIInChI=1S/C17H29NO2/c1-8-9-10-18-13(19)11-12(16(2,3)4)14(15(18)20)17(5,6)7/h8-11H2,1-7H3
InChIKeyCNZGCRVERYBDOY-UHFFFAOYSA-N
XLogP3.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide
CID 11111655
1,3,3,4,5-Pentamethylpyridine-2,6-dione
CID 20695481
1-Butyl-4,5-ditert-butyl-2,3-dihydropyridin-6-one
CID 20871976
1-butyl-3,4-ditert-butyl-2H-pyrrol-5-one
CID 20871978
1-butyl-5,6-ditert-butyl-3,4-dihydro-2H-azepin-7-one
CID 20871979
1-Butyl-3,4-ditert-butylpyrrole-2,5-dione
CID 20871982
1-Butyl-3,4-ditert-butyl-2,5-dihydropyridin-6-one
CID 20871987
4,5-Ditert-butyl-1-methyl-2,3-dihydropyridin-6-one
CID 23398291
3,4-Ditert-butyl-1-methyl-2,5-dihydropyridin-6-one
CID 23402546
4,5-Ditert-butyl-1-propyl-2,3-dihydropyridin-6-one
CID 23552362
4,5-ditert-butyl-1-propyl-3H-pyridine-2,6-dione
CID 23552363
5,6-ditert-butyl-1-propyl-3,4-dihydro-2H-azepin-7-one
CID 23552364

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione?
The IUPAC name of 1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione (CID 20871977) is 1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione.
What is the SMILES notation for 1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione?
The canonical SMILES for 1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione is CCCCN1C(=O)CC(C(C)(C)C)=C(C(C)(C)C)C1=O.
What is the InChIKey of 1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione?
The InChIKey is CNZGCRVERYBDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-8-9-10-18-13(19)11-12(16(2,3)4)14(15(18)20)17(5,6)7/h8-11H2,1-7H3.
What are the key properties of 1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione?
1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione has a molecular weight of 279.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione is sourced from PubChem (CID 20871977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).