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

C13H20N2O2 — CID 116561189

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
SMILESCNCCC(=O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C13H20N2O2/c1-9-8-15-12(10(2)13(9)17-4)7-11(16)5-6-14-3/h8,14H,5-7H2,1-4H3
InChIKeyVATFLNZBTVFNJO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.43
Rot. Bonds6

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

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one (PubChem CID 116561189) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
PubChem CID116561189
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
SMILESCNCCC(=O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C13H20N2O2/c1-9-8-15-12(10(2)13(9)17-4)7-11(16)5-6-14-3/h8,14H,5-7H2,1-4H3
InChIKeyVATFLNZBTVFNJO-UHFFFAOYSA-N
XLogP1.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one
CID 116581697
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-N-methylethanamine
CID 62336622
1-(2-bromophenyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 62829657
5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylpent-3-en-1-amine
CID 79591567
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butanoic acid
CID 43473380
6-bromo-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-3-one
CID 106798917
1-(3-fluorophenyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 62621914
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
3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 116594134

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one (CID 116561189) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one is CNCCC(=O)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one?
The InChIKey is VATFLNZBTVFNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-8-15-12(10(2)13(9)17-4)7-11(16)5-6-14-3/h8,14H,5-7H2,1-4H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one is sourced from PubChem (CID 116561189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).