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

C18H22N2O — CID 82520145

IUPAC3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
SMILESCc1ccc(-c2ccc(CNC3CC3)c(=O)n2C)cc1C
InChIInChI=1S/C18H22N2O/c1-12-4-5-14(10-13(12)2)17-9-6-15(18(21)20(17)3)11-19-16-7-8-16/h4-6,9-10,16,19H,7-8,11H2,1-3H3
InChIKeyNNQIGZWOKUDMDP-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.92
Rot. Bonds4

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

3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one (PubChem CID 82520145) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
PubChem CID82520145
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
SMILESCc1ccc(-c2ccc(CNC3CC3)c(=O)n2C)cc1C
InChIInChI=1S/C18H22N2O/c1-12-4-5-14(10-13(12)2)17-9-6-15(18(21)20(17)3)11-19-16-7-8-16/h4-6,9-10,16,19H,7-8,11H2,1-3H3
InChIKeyNNQIGZWOKUDMDP-UHFFFAOYSA-N
XLogP2.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one (CID 82520145) is 3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one is Cc1ccc(-c2ccc(CNC3CC3)c(=O)n2C)cc1C.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
The InChIKey is NNQIGZWOKUDMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-4-5-14(10-13(12)2)17-9-6-15(18(21)20(17)3)11-19-16-7-8-16/h4-6,9-10,16,19H,7-8,11H2,1-3H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one has a molecular weight of 282.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 82520145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).