3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one

C17H21ClN2O — CID 82519366

IUPAC3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one
SMILESCCCCNCc1ccc(-c2ccc(Cl)cc2)n(C)c1=O
InChIInChI=1S/C17H21ClN2O/c1-3-4-11-19-12-14-7-10-16(20(2)17(14)21)13-5-8-15(18)9-6-13/h5-10,19H,3-4,11-12H2,1-2H3
InChIKeyRKJMSPVOZXMUPO-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.60
Rot. Bonds6

About 3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one

3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one (PubChem CID 82519366) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one
PubChem CID82519366
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one
SMILESCCCCNCc1ccc(-c2ccc(Cl)cc2)n(C)c1=O
InChIInChI=1S/C17H21ClN2O/c1-3-4-11-19-12-14-7-10-16(20(2)17(14)21)13-5-8-15(18)9-6-13/h5-10,19H,3-4,11-12H2,1-2H3
InChIKeyRKJMSPVOZXMUPO-UHFFFAOYSA-N
XLogP3.60
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one
CID 82520140
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
CID 82519268
6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one
CID 82519096
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
CID 82521163
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one
CID 82519544
3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one
CID 82519652
3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one
CID 82521328

Frequently Asked Questions

What is the IUPAC name of 3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one (CID 82519366) is 3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one is CCCCNCc1ccc(-c2ccc(Cl)cc2)n(C)c1=O.
What is the InChIKey of 3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one?
The InChIKey is RKJMSPVOZXMUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-4-11-19-12-14-7-10-16(20(2)17(14)21)13-5-8-15(18)9-6-13/h5-10,19H,3-4,11-12H2,1-2H3.
What are the key properties of 3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one?
3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one has a molecular weight of 304.82 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 82519366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).