3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one

C12H20N2O — CID 82466700

IUPAC3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one
SMILESCc1cc(C)n(CCC(C)C)c(=O)c1N
InChIInChI=1S/C12H20N2O/c1-8(2)5-6-14-10(4)7-9(3)11(13)12(14)15/h7-8H,5-6,13H2,1-4H3
InChIKeyBBYYFTRNCWTKLB-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.09
Rot. Bonds3

About 3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one

3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one (PubChem CID 82466700) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one
PubChem CID82466700
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one
SMILESCc1cc(C)n(CCC(C)C)c(=O)c1N
InChIInChI=1S/C12H20N2O/c1-8(2)5-6-14-10(4)7-9(3)11(13)12(14)15/h7-8H,5-6,13H2,1-4H3
InChIKeyBBYYFTRNCWTKLB-UHFFFAOYSA-N
XLogP2.09
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.09
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
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 164636706
3-Amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one
CID 123688124
3-Amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one
CID 130267709
2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(3-methylbutyl)acetamide
CID 20962119
3-Amino-1-propyl-5-(trifluoromethyl)pyridin-2-one
CID 84008556
3-Amino-1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 84008557
4,6-Dimethyl-1-(3-methylbutan-2-yl)pyridin-2-one
CID 85865949
3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one
CID 18943505
(9aS)-5-amino-3-(2-methylpropyl)-2,8,9,9a-tetrahydro-1H-3-benzazepin-4-one
CID 20589651
(9aS)-5-amino-3-methyl-2,8,9,9a-tetrahydro-1H-3-benzazepin-4-one
CID 20589652
3-Amino-4-methyl-1-pentylpyridin-2-one
CID 21706495

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one?
The IUPAC name of 3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one (CID 82466700) is 3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one.
What is the SMILES notation for 3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one?
The canonical SMILES for 3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one is Cc1cc(C)n(CCC(C)C)c(=O)c1N.
What is the InChIKey of 3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one?
The InChIKey is BBYYFTRNCWTKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)5-6-14-10(4)7-9(3)11(13)12(14)15/h7-8H,5-6,13H2,1-4H3.
What are the key properties of 3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one?
3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one is sourced from PubChem (CID 82466700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).