6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one

C13H20N2O2 — CID 82524714

IUPAC6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESCNCc1ccc(C)n(CC2CCCO2)c1=O
InChIInChI=1S/C13H20N2O2/c1-10-5-6-11(8-14-2)13(16)15(10)9-12-4-3-7-17-12/h5-6,12,14H,3-4,7-9H2,1-2H3
InChIKeyMVJGEOMTCSRLBL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.06
Rot. Bonds4

About 6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one

6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one (PubChem CID 82524714) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
PubChem CID82524714
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESCNCc1ccc(C)n(CC2CCCO2)c1=O
InChIInChI=1S/C13H20N2O2/c1-10-5-6-11(8-14-2)13(16)15(10)9-12-4-3-7-17-12/h5-6,12,14H,3-4,7-9H2,1-2H3
InChIKeyMVJGEOMTCSRLBL-UHFFFAOYSA-N
XLogP1.06
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 107073173
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
6-methyl-1-(oxolan-2-ylmethyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
CID 82524678
4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 112757079
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
N-methyl-1-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]methanamine
CID 66404891
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
5-amino-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 165482338
4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
CID 51568108
1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522169
4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one
CID 124853578
N-methyl-1-[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165187

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one (CID 82524714) is 6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one is CNCc1ccc(C)n(CC2CCCO2)c1=O.
What is the InChIKey of 6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one?
The InChIKey is MVJGEOMTCSRLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-5-6-11(8-14-2)13(16)15(10)9-12-4-3-7-17-12/h5-6,12,14H,3-4,7-9H2,1-2H3.
What are the key properties of 6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one?
6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 82524714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).