5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one

C15H17BrN2O2 — CID 107737829

IUPAC5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2cc(Br)ccc2O)ccc1=O
InChIInChI=1S/C15H17BrN2O2/c1-2-7-18-10-13(4-6-15(18)20)17-9-11-8-12(16)3-5-14(11)19/h3-6,8,10,17,19H,2,7,9H2,1H3
InChIKeyCEHLHMHJYZQLKP-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.34
Rot. Bonds5

About 5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one

5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one (PubChem CID 107737829) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one
PubChem CID107737829
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2cc(Br)ccc2O)ccc1=O
InChIInChI=1S/C15H17BrN2O2/c1-2-7-18-10-13(4-6-15(18)20)17-9-11-8-12(16)3-5-14(11)19/h3-6,8,10,17,19H,2,7,9H2,1H3
InChIKeyCEHLHMHJYZQLKP-UHFFFAOYSA-N
XLogP3.34
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 63324996
5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one
CID 54863781
5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 54863932
5-[(2-chlorophenyl)methylamino]-1-propylpyridin-2-one
CID 54863887
5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one
CID 43733478
5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 54864095
1,3-dimethyl-6-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]pyrimidine-2,4-dione
CID 146144159
2-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]benzonitrile
CID 107935934
2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82887384
4-[(5-bromo-2-hydroxyphenyl)methylamino]benzoic acid
CID 70545209
1-propyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63951085
5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one
CID 60942932

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one?
The IUPAC name of 5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one (CID 107737829) is 5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one is CCCn1cc(NCc2cc(Br)ccc2O)ccc1=O.
What is the InChIKey of 5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one?
The InChIKey is CEHLHMHJYZQLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-2-7-18-10-13(4-6-15(18)20)17-9-11-8-12(16)3-5-14(11)19/h3-6,8,10,17,19H,2,7,9H2,1H3.
What are the key properties of 5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one?
5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one has a molecular weight of 337.22 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 107737829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).