(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide

C8H10BrN3O — CID 130857652

IUPAC(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C8H10BrN3O/c1-5(10)8(13)12-6-2-3-11-7(9)4-6/h2-5H,10H2,1H3,(H,11,12,13)/t5-/m0/s1
InChIKeyWWUWKYDDCCVLGE-YFKPBYRVSA-N
MW244.09 g/mol
LogP1.13
Rot. Bonds2

About (2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide

(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide (PubChem CID 130857652) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
PubChem CID130857652
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C8H10BrN3O/c1-5(10)8(13)12-6-2-3-11-7(9)4-6/h2-5H,10H2,1H3,(H,11,12,13)/t5-/m0/s1
InChIKeyWWUWKYDDCCVLGE-YFKPBYRVSA-N
XLogP1.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-pyridinyl)-2-methoxypropanamide
CID 131128808
(2R)-2-amino-N-pyridin-4-ylpropanamide
CID 78972247
(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide
CID 103813937
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
1-(2-bromo-4-pyridinyl)-3-ethylurea
CID 130673791
(2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide
CID 130163220
2-amino-N-(4-pyridin-4-ylphenyl)propanamide
CID 110460098
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
CID 130752361
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide
CID 107574322

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide (CID 130857652) is (2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide is C[C@H](N)C(=O)Nc1ccnc(Br)c1.
What is the InChIKey of (2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide?
The InChIKey is WWUWKYDDCCVLGE-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-5(10)8(13)12-6-2-3-11-7(9)4-6/h2-5H,10H2,1H3,(H,11,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide?
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide has a molecular weight of 244.09 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide is sourced from PubChem (CID 130857652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).