3-amino-1-butyl-4,6-dimethylpyridin-2-one

C11H18N2O — CID 82466696

IUPAC3-amino-1-butyl-4,6-dimethylpyridin-2-one
SMILESCCCCn1c(C)cc(C)c(N)c1=O
InChIInChI=1S/C11H18N2O/c1-4-5-6-13-9(3)7-8(2)10(12)11(13)14/h7H,4-6,12H2,1-3H3
InChIKeyGCXPVFTVWTXKHC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.85
Rot. Bonds3

About 3-amino-1-butyl-4,6-dimethylpyridin-2-one

3-amino-1-butyl-4,6-dimethylpyridin-2-one (PubChem CID 82466696) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-amino-1-butyl-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-butyl-4,6-dimethylpyridin-2-one
PubChem CID82466696
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-amino-1-butyl-4,6-dimethylpyridin-2-one
SMILESCCCCn1c(C)cc(C)c(N)c1=O
InChIInChI=1S/C11H18N2O/c1-4-5-6-13-9(3)7-8(2)10(12)11(13)14/h7H,4-6,12H2,1-3H3
InChIKeyGCXPVFTVWTXKHC-UHFFFAOYSA-N
XLogP1.85
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.85
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
2-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 72047413
6-ethyl-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-4-carboxamide
CID 74245334
3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one
CID 84008555
3-Amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one
CID 130267709
3-Amino-1-propyl-5-(trifluoromethyl)pyridin-2-one
CID 84008556
3-Amino-1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 84008557
N-Methyl-2-ethyl-4-carbamoyl-6-pyridone
CID 129933506
1-(2-Aminoethyl)-6-ethyl-4-(trifluoromethyl)pyridin-2-one
CID 132488942
5-Amino-1-(4-fluorobutyl)-4-methyl-1,2-dihydropyridin-2-one
CID 165956684
2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetamide
CID 6463979
N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 44776197

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butyl-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-amino-1-butyl-4,6-dimethylpyridin-2-one (CID 82466696) is 3-amino-1-butyl-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-amino-1-butyl-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-amino-1-butyl-4,6-dimethylpyridin-2-one is CCCCn1c(C)cc(C)c(N)c1=O.
What is the InChIKey of 3-amino-1-butyl-4,6-dimethylpyridin-2-one?
The InChIKey is GCXPVFTVWTXKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-5-6-13-9(3)7-8(2)10(12)11(13)14/h7H,4-6,12H2,1-3H3.
What are the key properties of 3-amino-1-butyl-4,6-dimethylpyridin-2-one?
3-amino-1-butyl-4,6-dimethylpyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.85, 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-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 82466696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).