1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one

C12H17NO2 — CID 62620221

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
SMILESCCC(=O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C12H17NO2/c1-5-10(14)6-11-9(3)12(15-4)8(2)7-13-11/h7H,5-6H2,1-4H3
InChIKeyLVEWTDYLMKQXFO-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.23
Rot. Bonds4

About 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one (PubChem CID 62620221) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
PubChem CID62620221
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
SMILESCCC(=O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C12H17NO2/c1-5-10(14)6-11-9(3)12(15-4)8(2)7-13-11/h7H,5-6H2,1-4H3
InChIKeyLVEWTDYLMKQXFO-UHFFFAOYSA-N
XLogP2.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561189
1-(2-bromophenyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 62829657
3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 116594134
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809
7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one
CID 116581697
1-(3-fluorophenyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 62621914
3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one
CID 116557113
1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968264
3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one
CID 116709812
1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968240

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one (CID 62620221) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one is CCC(=O)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one?
The InChIKey is LVEWTDYLMKQXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-5-10(14)6-11-9(3)12(15-4)8(2)7-13-11/h7H,5-6H2,1-4H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one is sourced from PubChem (CID 62620221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).