3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide

C13H9BrN4O — CID 110869733

IUPAC3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESO=C(Nc1cnc2nc[nH]c2c1)c1cccc(Br)c1
InChIInChI=1S/C13H9BrN4O/c14-9-3-1-2-8(4-9)13(19)18-10-5-11-12(15-6-10)17-7-16-11/h1-7H,(H,18,19)(H,15,16,17)
InChIKeyLCWJJHZLUGDNMO-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.97
Rot. Bonds2

About 3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide

3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide (PubChem CID 110869733) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide
PubChem CID110869733
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC Name3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESO=C(Nc1cnc2nc[nH]c2c1)c1cccc(Br)c1
InChIInChI=1S/C13H9BrN4O/c14-9-3-1-2-8(4-9)13(19)18-10-5-11-12(15-6-10)17-7-16-11/h1-7H,(H,18,19)(H,15,16,17)
InChIKeyLCWJJHZLUGDNMO-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110858705
N-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110863998
N-(3-cyanophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110864841
3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 122298143
N-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110860235
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide
CID 11617554
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(2,3-dichlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110864410
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The IUPAC name of 3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide (CID 110869733) is 3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The canonical SMILES for 3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide is O=C(Nc1cnc2nc[nH]c2c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The InChIKey is LCWJJHZLUGDNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-9-3-1-2-8(4-9)13(19)18-10-5-11-12(15-6-10)17-7-16-11/h1-7H,(H,18,19)(H,15,16,17).
What are the key properties of 3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide?
3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide has a molecular weight of 317.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 110869733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).