3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one

C20H26N2O — CID 82520275

IUPAC3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(C)cc2C)ccc(CNC2CC2)c1=O
InChIInChI=1S/C20H26N2O/c1-4-11-22-19(18-9-5-14(2)12-15(18)3)10-6-16(20(22)23)13-21-17-7-8-17/h5-6,9-10,12,17,21H,4,7-8,11,13H2,1-3H3
InChIKeyVWCGXDGPALGEJQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.79
Rot. Bonds6

About 3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one

3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one (PubChem CID 82520275) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one
PubChem CID82520275
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(C)cc2C)ccc(CNC2CC2)c1=O
InChIInChI=1S/C20H26N2O/c1-4-11-22-19(18-9-5-14(2)12-15(18)3)10-6-16(20(22)23)13-21-17-7-8-17/h5-6,9-10,12,17,21H,4,7-8,11,13H2,1-3H3
InChIKeyVWCGXDGPALGEJQ-UHFFFAOYSA-N
XLogP3.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
CID 82519877
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208
6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82520319
3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520145
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one
CID 82189332
3-[(cyclopropylamino)methyl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524810
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one
CID 82521328
3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one
CID 82519976
ethyl 4-[(2,4-dimethylphenyl)methylamino]cyclohexane-1-carboxylate
CID 60934439
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524754

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one?
The IUPAC name of 3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one (CID 82520275) is 3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one is CCCn1c(-c2ccc(C)cc2C)ccc(CNC2CC2)c1=O.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one?
The InChIKey is VWCGXDGPALGEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-11-22-19(18-9-5-14(2)12-15(18)3)10-6-16(20(22)23)13-21-17-7-8-17/h5-6,9-10,12,17,21H,4,7-8,11,13H2,1-3H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one?
3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one has a molecular weight of 310.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one is sourced from PubChem (CID 82520275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).