1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one

C17H20N2O3 — CID 70320351

IUPAC1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)c1ccc(-c2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C17H20N2O3/c1-11(20)17(18-2)13-5-7-14(19-10-13)12-6-8-15(21-3)16(9-12)22-4/h5-10,17-18H,1-4H3
InChIKeyWLSKDKUSRREQOP-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.62
Rot. Bonds6

About 1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one

1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one (PubChem CID 70320351) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one
PubChem CID70320351
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)c1ccc(-c2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C17H20N2O3/c1-11(20)17(18-2)13-5-7-14(19-10-13)12-6-8-15(21-3)16(9-12)22-4/h5-10,17-18H,1-4H3
InChIKeyWLSKDKUSRREQOP-UHFFFAOYSA-N
XLogP2.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol
CID 117001680
methyl 8-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-8-oxooctanoate
CID 58982195
(3S)-3-amino-3-[2-(3,4-dimethoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 40801420
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one
CID 116955950
6-(3,4-dimethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203035
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 71835794
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
2-(3-fluoro-4-methoxyphenyl)-2-(methylamino)acetamide
CID 65096535
(E)-3-[6-(3,4-dimethoxyphenyl)-3-propan-2-ylpyrazin-2-yl]-6-methylhept-2-en-4-one
CID 143853702

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one?
The IUPAC name of 1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one (CID 70320351) is 1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one.
What is the SMILES notation for 1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one?
The canonical SMILES for 1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one is CNC(C(C)=O)c1ccc(-c2ccc(OC)c(OC)c2)nc1.
What is the InChIKey of 1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one?
The InChIKey is WLSKDKUSRREQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(20)17(18-2)13-5-7-14(19-10-13)12-6-8-15(21-3)16(9-12)22-4/h5-10,17-18H,1-4H3.
What are the key properties of 1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one?
1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one has a molecular weight of 300.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one is sourced from PubChem (CID 70320351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).