1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one

C16H19ClN2O — CID 82422131

IUPAC1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one
SMILESCCCNCc1cn(-c2ccc(Cl)cc2)c(C)cc1=O
InChIInChI=1S/C16H19ClN2O/c1-3-8-18-10-13-11-19(12(2)9-16(13)20)15-6-4-14(17)5-7-15/h4-7,9,11,18H,3,8,10H2,1-2H3
InChIKeyWCTIRNPWXTZXOS-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.30
Rot. Bonds5

About 1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one

1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one (PubChem CID 82422131) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one
PubChem CID82422131
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one
SMILESCCCNCc1cn(-c2ccc(Cl)cc2)c(C)cc1=O
InChIInChI=1S/C16H19ClN2O/c1-3-8-18-10-13-11-19(12(2)9-16(13)20)15-6-4-14(17)5-7-15/h4-7,9,11,18H,3,8,10H2,1-2H3
InChIKeyWCTIRNPWXTZXOS-UHFFFAOYSA-N
XLogP3.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.30
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

5-(butylaminomethyl)-1-(3,4-dimethylphenyl)-2-methylpyridin-4-one
CID 82421165
1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
CID 82421084
1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one
CID 82422160
1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420007
5-(butylaminomethyl)-1-(2,5-difluorophenyl)-2-methylpyridin-4-one
CID 82421579
1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
CID 82421850
1-(4-ethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
CID 82420006
5-(chloromethyl)-1-(3-chloro-4-methylphenyl)-2-methylpyridin-4-one
CID 82419425
5-(chloromethyl)-1-(4-fluorophenyl)-2-methylpyridin-4-one
CID 82421856
1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420920
1-(4-chlorophenyl)-6-methyl-4-oxopyridine-3-carbothioamide
CID 82422137
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]propan-1-amine
CID 63552365

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one (CID 82422131) is 1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one is CCCNCc1cn(-c2ccc(Cl)cc2)c(C)cc1=O.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one?
The InChIKey is WCTIRNPWXTZXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-8-18-10-13-11-19(12(2)9-16(13)20)15-6-4-14(17)5-7-15/h4-7,9,11,18H,3,8,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one?
1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one has a molecular weight of 290.79 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one is sourced from PubChem (CID 82422131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).