N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide

C13H9BrN4O — CID 17481088

IUPACN-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cncc(Br)c1
InChIInChI=1S/C13H9BrN4O/c14-10-5-9(6-15-7-10)13(19)17-18-8-16-11-3-1-2-4-12(11)18/h1-8H,(H,17,19)
InChIKeyQWTOOBSYIBCRHT-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.58
Rot. Bonds2

About N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide

N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide (PubChem CID 17481088) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide
PubChem CID17481088
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC NameN-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cncc(Br)c1
InChIInChI=1S/C13H9BrN4O/c14-10-5-9(6-15-7-10)13(19)17-18-8-16-11-3-1-2-4-12(11)18/h1-8H,(H,17,19)
InChIKeyQWTOOBSYIBCRHT-UHFFFAOYSA-N
XLogP2.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 24535711
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N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide
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2-(benzimidazol-1-ylcarbamoyl)benzoic acid
CID 134107318
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
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CID 2318657
N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18148926
N-(benzimidazol-1-yl)-3-(methanesulfonamido)benzamide
CID 18126221
N-(benzimidazol-1-yl)-2,4-dichlorobenzamide
CID 17464518
N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide
CID 34334265
N-(benzimidazol-1-yl)-5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 34334261

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide (CID 17481088) is N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide is O=C(Nn1cnc2ccccc21)c1cncc(Br)c1.
What is the InChIKey of N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide?
The InChIKey is QWTOOBSYIBCRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-10-5-9(6-15-7-10)13(19)17-18-8-16-11-3-1-2-4-12(11)18/h1-8H,(H,17,19).
What are the key properties of N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide?
N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide has a molecular weight of 317.15 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 17481088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).