(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide

C15H16BrN3O — CID 79048264

IUPAC(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
SMILESCc1nc(NC(=O)[C@@H](N)Cc2ccccc2)ccc1Br
InChIInChI=1S/C15H16BrN3O/c1-10-12(16)7-8-14(18-10)19-15(20)13(17)9-11-5-3-2-4-6-11/h2-8,13H,9,17H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeySNSUUEKQUHVPFI-ZDUSSCGKSA-N
MW334.22 g/mol
LogP2.66
Rot. Bonds4

About (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide

(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide (PubChem CID 79048264) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
PubChem CID79048264
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
SMILESCc1nc(NC(=O)[C@@H](N)Cc2ccccc2)ccc1Br
InChIInChI=1S/C15H16BrN3O/c1-10-12(16)7-8-14(18-10)19-15(20)13(17)9-11-5-3-2-4-6-11/h2-8,13H,9,17H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeySNSUUEKQUHVPFI-ZDUSSCGKSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide
CID 113246337
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 79048870
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide
CID 81102470
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 63334484
(2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 22691230
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
CID 104893301
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969
2-amino-N-(1,2-oxazol-3-yl)-3-phenylpropanamide
CID 62903425

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide (CID 79048264) is (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide is Cc1nc(NC(=O)[C@@H](N)Cc2ccccc2)ccc1Br.
What is the InChIKey of (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide?
The InChIKey is SNSUUEKQUHVPFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-12(16)7-8-14(18-10)19-15(20)13(17)9-11-5-3-2-4-6-11/h2-8,13H,9,17H2,1H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide?
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide has a molecular weight of 334.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 79048264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).