1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one

C14H15BrN2O — CID 113384354

IUPAC1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one
SMILESNc1cccc(CCCn2cc(Br)ccc2=O)c1
InChIInChI=1S/C14H15BrN2O/c15-12-6-7-14(18)17(10-12)8-2-4-11-3-1-5-13(16)9-11/h1,3,5-7,9-10H,2,4,8,16H2
InChIKeyGUMSEQDFHHZJGJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.83
Rot. Bonds4

About 1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one

1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one (PubChem CID 113384354) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one.

Molecular Properties

Compound Name1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one
PubChem CID113384354
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one
SMILESNc1cccc(CCCn2cc(Br)ccc2=O)c1
InChIInChI=1S/C14H15BrN2O/c15-12-6-7-14(18)17(10-12)8-2-4-11-3-1-5-13(16)9-11/h1,3,5-7,9-10H,2,4,8,16H2
InChIKeyGUMSEQDFHHZJGJ-UHFFFAOYSA-N
XLogP2.83
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-aminophenyl)propyl]pyridazin-3-one
CID 113384360
3-[3-[(5-bromo-2-pyridinyl)sulfanyl]propyl]aniline
CID 113384446
1-benzyl-5-bromopyridin-2-one
CID 15395936
5-bromo-1-[3-(methylamino)propyl]pyridin-2-one
CID 61387594
3-[3-(4-propylpiperazin-1-yl)propyl]aniline
CID 115341726
5-bromo-1-(4-methoxybutyl)pyridin-2-one
CID 115735573
3-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]aniline
CID 115342167
1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one
CID 43365768
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
5-bromo-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 66308274
2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione
CID 122510336
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one?
The IUPAC name of 1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one (CID 113384354) is 1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one.
What is the SMILES notation for 1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one?
The canonical SMILES for 1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one is Nc1cccc(CCCn2cc(Br)ccc2=O)c1.
What is the InChIKey of 1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one?
The InChIKey is GUMSEQDFHHZJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-12-6-7-14(18)17(10-12)8-2-4-11-3-1-5-13(16)9-11/h1,3,5-7,9-10H,2,4,8,16H2.
What are the key properties of 1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one?
1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one has a molecular weight of 307.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminophenyl)propyl]-5-bromopyridin-2-one is sourced from PubChem (CID 113384354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).