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

C18H22N2O — CID 82419934

IUPAC5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one
SMILESCc1cccc(-n2cc(CNC3CC3)c(=O)cc2C)c1C
InChIInChI=1S/C18H22N2O/c1-12-5-4-6-17(14(12)3)20-11-15(10-19-16-7-8-16)18(21)9-13(20)2/h4-6,9,11,16,19H,7-8,10H2,1-3H3
InChIKeyJUHVMPXEBHRTMI-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.01
Rot. Bonds4

About 5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one

5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one (PubChem CID 82419934) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one
PubChem CID82419934
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one
SMILESCc1cccc(-n2cc(CNC3CC3)c(=O)cc2C)c1C
InChIInChI=1S/C18H22N2O/c1-12-5-4-6-17(14(12)3)20-11-15(10-19-16-7-8-16)18(21)9-13(20)2/h4-6,9,11,16,19H,7-8,10H2,1-3H3
InChIKeyJUHVMPXEBHRTMI-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide
CID 82419941
N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63551432
N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282801
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine
CID 56705521
2-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]butanoic acid
CID 112610025
N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 114254035
N-[[1-methyl-3-(2-methylphenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79485385
3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520145
3-(cyclopropylamino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 71670678
N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283592
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one?
The IUPAC name of 5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one (CID 82419934) is 5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one is Cc1cccc(-n2cc(CNC3CC3)c(=O)cc2C)c1C.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one?
The InChIKey is JUHVMPXEBHRTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-5-4-6-17(14(12)3)20-11-15(10-19-16-7-8-16)18(21)9-13(20)2/h4-6,9,11,16,19H,7-8,10H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one?
5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one has a molecular weight of 282.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82419934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).