3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide

C15H16BrN3O — CID 79733322

IUPAC3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide
SMILESCc1cc(NC(=O)C(CN)c2ccccc2)ncc1Br
InChIInChI=1S/C15H16BrN3O/c1-10-7-14(18-9-13(10)16)19-15(20)12(8-17)11-5-3-2-4-6-11/h2-7,9,12H,8,17H2,1H3,(H,18,19,20)
InChIKeyINZZHSUKXUGJEM-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.83
Rot. Bonds4

About 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide

3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide (PubChem CID 79733322) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide
PubChem CID79733322
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide
SMILESCc1cc(NC(=O)C(CN)c2ccccc2)ncc1Br
InChIInChI=1S/C15H16BrN3O/c1-10-7-14(18-9-13(10)16)19-15(20)12(8-17)11-5-3-2-4-6-11/h2-7,9,12H,8,17H2,1H3,(H,18,19,20)
InChIKeyINZZHSUKXUGJEM-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 79734420
(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 80741257
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 104685319
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylpropanamide
CID 104618025
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
CID 75494689
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
CID 79734817
2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
CID 79734820
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 112697409

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide (CID 79733322) is 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide is Cc1cc(NC(=O)C(CN)c2ccccc2)ncc1Br.
What is the InChIKey of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide?
The InChIKey is INZZHSUKXUGJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-7-14(18-9-13(10)16)19-15(20)12(8-17)11-5-3-2-4-6-11/h2-7,9,12H,8,17H2,1H3,(H,18,19,20).
What are the key properties of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide?
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide has a molecular weight of 334.22 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide is sourced from PubChem (CID 79733322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).