9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde|9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde|9-methyl-2-(4-methylpiperidin-1-yl...

General Information

Structure

Molecular Formula

C₁₆H₁₉N₃O₂

Molecular Mass

285.34096

Exact Mass

285.14772686

Charge

InChI

InChI=1S/C16H19N3O2/c1-11-5-8-18(9-6-11)15-13(10-20)16(21)19-7-3-4-12(2)14(19)17-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3

InChIKey

TWNYXSVEXVQJOL-UHFFFAOYSA-N

Canonic Smiles

O=Cc1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C

Isomeric Smiles

c1(nc2n(c(=O)c1C=O)cccc2C)N1CCC(CC1)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.814022

LogD (pH = 7.4)

1.8140574

Log P

1.8140578

Molar Refractivity

92.131

Polarizability

30.43895

Polar Surface Area

52.98

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

Synonyms

9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

IUPAC name

9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

Names and Identifiers

Registration numbers

PubChem CID

763938

PubChem SID

162215927

Registration numbers

Properties

No Data Available

Click here to submit data

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:121574