1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one

C11H16N2O2 — CID 116566393

IUPAC1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1cncc(OC)c1
InChIInChI=1S/C11H16N2O2/c1-11(2,12-3)10(14)8-5-9(15-4)7-13-6-8/h5-7,12H,1-4H3
InChIKeyRQPIJEKOMVFGTD-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.27
Rot. Bonds4

About 1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one

1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 116566393) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID116566393
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1cncc(OC)c1
InChIInChI=1S/C11H16N2O2/c1-11(2,12-3)10(14)8-5-9(15-4)7-13-6-8/h5-7,12H,1-4H3
InChIKeyRQPIJEKOMVFGTD-UHFFFAOYSA-N
XLogP1.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547
2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116566359
2-methoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116746637
1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 19866956
2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116746948
3-(tert-butylamino)-1-(5-methoxy-3-pyridinyl)propan-1-one
CID 116557911
1-(5-methoxy-3-pyridinyl)-3,4,4-trimethylpentan-1-one
CID 115793471
1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide
CID 165445890
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone
CID 116576579
(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793494
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide
CID 175874136

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one (CID 116566393) is 1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)c1cncc(OC)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is RQPIJEKOMVFGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,12-3)10(14)8-5-9(15-4)7-13-6-8/h5-7,12H,1-4H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one?
1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 208.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 116566393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).