3-amino-1-butyl-6-tert-butylpyridin-2-one

C13H22N2O — CID 82466740

IUPAC3-amino-1-butyl-6-tert-butylpyridin-2-one
SMILESCCCCn1c(C(C)(C)C)ccc(N)c1=O
InChIInChI=1S/C13H22N2O/c1-5-6-9-15-11(13(2,3)4)8-7-10(14)12(15)16/h7-8H,5-6,9,14H2,1-4H3
InChIKeyNJIUDIFZQCTUAT-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.53
Rot. Bonds3

About 3-amino-1-butyl-6-tert-butylpyridin-2-one

3-amino-1-butyl-6-tert-butylpyridin-2-one (PubChem CID 82466740) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-amino-1-butyl-6-tert-butylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-butyl-6-tert-butylpyridin-2-one
PubChem CID82466740
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-amino-1-butyl-6-tert-butylpyridin-2-one
SMILESCCCCn1c(C(C)(C)C)ccc(N)c1=O
InChIInChI=1S/C13H22N2O/c1-5-6-9-15-11(13(2,3)4)8-7-10(14)12(15)16/h7-8H,5-6,9,14H2,1-4H3
InChIKeyNJIUDIFZQCTUAT-UHFFFAOYSA-N
XLogP2.53
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide
CID 59268968
3-Amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one
CID 130267709
3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one
CID 18943505
3-Amino-4-methyl-1-pentylpyridin-2-one
CID 21706495
3-Amino-1-ethyl-4,5,6-trimethylpyridin-2-one
CID 22093028
3-Amino-1-butyl-5,6-dimethyl-2-pyridone
CID 22266463
3-Amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one
CID 22266485
2-[2,3-dimethyl-5-(methylamino)-6-oxo-1-pyridinyl]-N-methylacetamide
CID 23403529
1-Ethyl-3-isocyano-5,6-dimethylpyridin-2-one
CID 23587855
3-Amino-1,5,6-trimethylpyridin-2-one
CID 23587878
N-[(1,4-dimethyl-6-oxo-2-pyridinyl)methyl]-2-methylprop-2-enamide
CID 53734718
3-Amino-1,4,6-trimethylpyridin-2-one
CID 54015393

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butyl-6-tert-butylpyridin-2-one?
The IUPAC name of 3-amino-1-butyl-6-tert-butylpyridin-2-one (CID 82466740) is 3-amino-1-butyl-6-tert-butylpyridin-2-one.
What is the SMILES notation for 3-amino-1-butyl-6-tert-butylpyridin-2-one?
The canonical SMILES for 3-amino-1-butyl-6-tert-butylpyridin-2-one is CCCCn1c(C(C)(C)C)ccc(N)c1=O.
What is the InChIKey of 3-amino-1-butyl-6-tert-butylpyridin-2-one?
The InChIKey is NJIUDIFZQCTUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-6-9-15-11(13(2,3)4)8-7-10(14)12(15)16/h7-8H,5-6,9,14H2,1-4H3.
What are the key properties of 3-amino-1-butyl-6-tert-butylpyridin-2-one?
3-amino-1-butyl-6-tert-butylpyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butyl-6-tert-butylpyridin-2-one is sourced from PubChem (CID 82466740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).