5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one

C17H22N2O2 — CID 87054489

IUPAC5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(CN(C)Cc2ccccc2)ccc1=O
InChIInChI=1S/C17H22N2O2/c1-18(12-15-6-4-3-5-7-15)13-16-8-9-17(20)19(14-16)10-11-21-2/h3-9,14H,10-13H2,1-2H3
InChIKeyDVITVVKYBHRMRO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.13
Rot. Bonds7

About 5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one

5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 87054489) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID87054489
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(CN(C)Cc2ccccc2)ccc1=O
InChIInChI=1S/C17H22N2O2/c1-18(12-15-6-4-3-5-7-15)13-16-8-9-17(20)19(14-16)10-11-21-2/h3-9,14H,10-13H2,1-2H3
InChIKeyDVITVVKYBHRMRO-UHFFFAOYSA-N
XLogP2.13
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one (CID 87054489) is 5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one is COCCn1cc(CN(C)Cc2ccccc2)ccc1=O.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is DVITVVKYBHRMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18(12-15-6-4-3-5-7-15)13-16-8-9-17(20)19(14-16)10-11-21-2/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one?
5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 87054489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).