2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide

C12H13BrN4O — CID 62855029

IUPAC2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H13BrN4O/c1-2-10(13)12(18)16-9-3-4-11(15-7-9)17-6-5-14-8-17/h3-8,10H,2H2,1H3,(H,16,18)
InChIKeyYBHYBFXOENQATB-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.38
Rot. Bonds4

About 2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide

2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide (PubChem CID 62855029) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
PubChem CID62855029
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H13BrN4O/c1-2-10(13)12(18)16-9-3-4-11(15-7-9)17-6-5-14-8-17/h3-8,10H,2H2,1H3,(H,16,18)
InChIKeyYBHYBFXOENQATB-UHFFFAOYSA-N
XLogP2.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
2-(aminomethyl)-N-(6-imidazol-1-yl-3-pyridinyl)pentanamide
CID 65225245
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide
CID 95292032
ethyl 2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 90564814
2-amino-N-(6-imidazol-1-yl-3-pyridinyl)-3-methoxypropanamide
CID 81082774
2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 75424281
1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea
CID 18953574
(2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide
CID 95300199
1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564893
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide?
The IUPAC name of 2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide (CID 62855029) is 2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide.
What is the SMILES notation for 2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide?
The canonical SMILES for 2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide is CCC(Br)C(=O)Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide?
The InChIKey is YBHYBFXOENQATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-2-10(13)12(18)16-9-3-4-11(15-7-9)17-6-5-14-8-17/h3-8,10H,2H2,1H3,(H,16,18).
What are the key properties of 2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide?
2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide has a molecular weight of 309.17 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 62855029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).