3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide

C15H16BrN3O — CID 104502905

IUPAC3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide
SMILESCC(CC(=O)Nc1ccncc1Br)c1ccc(N)cc1
InChIInChI=1S/C15H16BrN3O/c1-10(11-2-4-12(17)5-3-11)8-15(20)19-14-6-7-18-9-13(14)16/h2-7,9-10H,8,17H2,1H3,(H,18,19,20)
InChIKeyKXVFFMNTXZWFPG-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.56
Rot. Bonds4

About 3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide

3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide (PubChem CID 104502905) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide
PubChem CID104502905
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide
SMILESCC(CC(=O)Nc1ccncc1Br)c1ccc(N)cc1
InChIInChI=1S/C15H16BrN3O/c1-10(11-2-4-12(17)5-3-11)8-15(20)19-14-6-7-18-9-13(14)16/h2-7,9-10H,8,17H2,1H3,(H,18,19,20)
InChIKeyKXVFFMNTXZWFPG-UHFFFAOYSA-N
XLogP3.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide
CID 104502256
3-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)butanamide
CID 104502253
3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide
CID 104778329
3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide
CID 104502578
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
CID 104502050
3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
CID 102805605
3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide
CID 104502828
3-(4-aminophenyl)-N-(2-cyanophenyl)butanamide
CID 104502015
3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 104502076
5-bromo-N-(3-bromo-4-pyridinyl)pentanamide
CID 107910435
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 104501972

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide (CID 104502905) is 3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide is CC(CC(=O)Nc1ccncc1Br)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide?
The InChIKey is KXVFFMNTXZWFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10(11-2-4-12(17)5-3-11)8-15(20)19-14-6-7-18-9-13(14)16/h2-7,9-10H,8,17H2,1H3,(H,18,19,20).
What are the key properties of 3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide?
3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide has a molecular weight of 334.22 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide is sourced from PubChem (CID 104502905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).