1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one

C12H17NO — CID 130560318

IUPAC1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1cnc(C)c(C)c1
InChIInChI=1S/C12H17NO/c1-5-8(2)12(14)11-6-9(3)10(4)13-7-11/h6-8H,5H2,1-4H3
InChIKeyNBTXEKHBMJPXBQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.93
Rot. Bonds3

About 1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one

1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one (PubChem CID 130560318) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one
PubChem CID130560318
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1cnc(C)c(C)c1
InChIInChI=1S/C12H17NO/c1-5-8(2)12(14)11-6-9(3)10(4)13-7-11/h6-8H,5H2,1-4H3
InChIKeyNBTXEKHBMJPXBQ-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,5,6-tetramethylpyridine-3-carboxamide
CID 178150926
3-(5,6-dimethyl-3-pyridinyl)-3-oxopropanenitrile
CID 130438969
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one
CID 130560649
1-(3,4-dichlorophenyl)-2-methylbutan-1-one
CID 43344477
1-(5,6-dimethyl-3-pyridinyl)-4-(6-methoxy-5-methyl-3-pyridinyl)butane-1,4-dione
CID 90363435
N-methoxy-N,5,6-trimethylpyridine-3-carboxamide
CID 130211578
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide
CID 103730347
1-(4-acetylphenyl)-2-methylbutan-1-one;ethane
CID 178178337
(5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane
CID 144572444
1-(2,5-dibromo-4-methylphenyl)-2-methylbutan-1-one
CID 81468688
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one?
The IUPAC name of 1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one (CID 130560318) is 1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one?
The canonical SMILES for 1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one is CCC(C)C(=O)c1cnc(C)c(C)c1.
What is the InChIKey of 1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one?
The InChIKey is NBTXEKHBMJPXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-8(2)12(14)11-6-9(3)10(4)13-7-11/h6-8H,5H2,1-4H3.
What are the key properties of 1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one?
1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one is sourced from PubChem (CID 130560318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).