4-amino-1,5-ditert-butylpyridin-2-one

C13H22N2O — CID 160952983

IUPAC4-amino-1,5-ditert-butylpyridin-2-one
SMILESCC(C)(C)c1cn(C(C)(C)C)c(=O)cc1N
InChIInChI=1S/C13H22N2O/c1-12(2,3)9-8-15(13(4,5)6)11(16)7-10(9)14/h7-8H,14H2,1-6H3
InChIKeySNMRECFONUOWOG-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.48
Rot. Bonds

About 4-amino-1,5-ditert-butylpyridin-2-one

4-amino-1,5-ditert-butylpyridin-2-one (PubChem CID 160952983) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-amino-1,5-ditert-butylpyridin-2-one.

Molecular Properties

Compound Name4-amino-1,5-ditert-butylpyridin-2-one
PubChem CID160952983
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-amino-1,5-ditert-butylpyridin-2-one
SMILESCC(C)(C)c1cn(C(C)(C)C)c(=O)cc1N
InChIInChI=1S/C13H22N2O/c1-12(2,3)9-8-15(13(4,5)6)11(16)7-10(9)14/h7-8H,14H2,1-6H3
InChIKeySNMRECFONUOWOG-UHFFFAOYSA-N
XLogP2.48
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1,3,4-tritert-butylpyrrole
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,5-ditert-butylpyridin-2-one?
The IUPAC name of 4-amino-1,5-ditert-butylpyridin-2-one (CID 160952983) is 4-amino-1,5-ditert-butylpyridin-2-one.
What is the SMILES notation for 4-amino-1,5-ditert-butylpyridin-2-one?
The canonical SMILES for 4-amino-1,5-ditert-butylpyridin-2-one is CC(C)(C)c1cn(C(C)(C)C)c(=O)cc1N.
What is the InChIKey of 4-amino-1,5-ditert-butylpyridin-2-one?
The InChIKey is SNMRECFONUOWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12(2,3)9-8-15(13(4,5)6)11(16)7-10(9)14/h7-8H,14H2,1-6H3.
What are the key properties of 4-amino-1,5-ditert-butylpyridin-2-one?
4-amino-1,5-ditert-butylpyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,5-ditert-butylpyridin-2-one is sourced from PubChem (CID 160952983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).