N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide

C11H16BrN3O — CID 130299737

IUPACN-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cccc(Br)n1
InChIInChI=1S/C11H16BrN3O/c1-8(2)13-7-6-11(16)15-10-5-3-4-9(12)14-10/h3-5,8,13H,6-7H2,1-2H3,(H,14,15,16)
InChIKeyCGBOKBTTXZITOC-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.17
Rot. Bonds5

About N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide

N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide (PubChem CID 130299737) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
PubChem CID130299737
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cccc(Br)n1
InChIInChI=1S/C11H16BrN3O/c1-8(2)13-7-6-11(16)15-10-5-3-4-9(12)14-10/h3-5,8,13H,6-7H2,1-2H3,(H,14,15,16)
InChIKeyCGBOKBTTXZITOC-UHFFFAOYSA-N
XLogP2.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.17
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-(6-bromo-2-pyridinyl)propanamide
CID 43520454
4-bromo-N-(6-bromo-2-pyridinyl)butanamide
CID 134366786
N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 116813202
N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
N-(6-bromo-2-pyridinyl)-3-propoxypropanamide
CID 62717521
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
N-(6-bromo-2-pyridinyl)-2-methylpentanamide
CID 43520555
N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 116784420
(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide
CID 130299804
N-(6-bromo-2-pyridinyl)but-3-enamide
CID 62677588
N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 62954985
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide (CID 130299737) is N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is CGBOKBTTXZITOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8(2)13-7-6-11(16)15-10-5-3-4-9(12)14-10/h3-5,8,13H,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide?
N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 286.17 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 130299737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).