N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide

C10H14BrN3O — CID 130770751

IUPACN-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C10H14BrN3O/c1-14(2)6-5-10(15)13-8-3-4-9(11)12-7-8/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKeyBSAHVXLMRMSAIY-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.73
Rot. Bonds4

About N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide

N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide (PubChem CID 130770751) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
PubChem CID130770751
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC NameN-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C10H14BrN3O/c1-14(2)6-5-10(15)13-8-3-4-9(11)12-7-8/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKeyBSAHVXLMRMSAIY-UHFFFAOYSA-N
XLogP1.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide
CID 130934533
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide
CID 110614707
N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868276
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide
CID 113010701
N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103789384
N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide
CID 110614772
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 110605088
N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110619359

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide (CID 130770751) is N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide is CN(C)CCC(=O)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide?
The InChIKey is BSAHVXLMRMSAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-14(2)6-5-10(15)13-8-3-4-9(11)12-7-8/h3-4,7H,5-6H2,1-2H3,(H,13,15).
What are the key properties of N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide?
N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide has a molecular weight of 272.15 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide is sourced from PubChem (CID 130770751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).