N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide

C14H9BrN4O — CID 104578289

IUPACN-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide
SMILESO=C(Nc1ccncc1Br)c1cccc2nccnc12
InChIInChI=1S/C14H9BrN4O/c15-10-8-16-5-4-11(10)19-14(20)9-2-1-3-12-13(9)18-7-6-17-12/h1-8H,(H,16,19,20)
InChIKeyFWNVWMKHVDLJQL-UHFFFAOYSA-N
MW329.16 g/mol
LogP3.04
Rot. Bonds2

About N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide

N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide (PubChem CID 104578289) has the molecular formula C14H9BrN4O and a molecular weight of 329.16 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide
PubChem CID104578289
Molecular FormulaC14H9BrN4O
Molecular Weight329.16 g/mol
Exact Mass328.00
IUPAC NameN-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide
SMILESO=C(Nc1ccncc1Br)c1cccc2nccnc12
InChIInChI=1S/C14H9BrN4O/c15-10-8-16-5-4-11(10)19-14(20)9-2-1-3-12-13(9)18-7-6-17-12/h1-8H,(H,16,19,20)
InChIKeyFWNVWMKHVDLJQL-UHFFFAOYSA-N
XLogP3.04
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide
CID 104576514
N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide
CID 104577636
N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide
CID 104614021
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide
CID 136773882
2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide
CID 107075793
N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide
CID 136756008
N-[4-(bromomethyl)phenyl]quinoxaline-5-carboxamide
CID 104615759
N-(2-methyl-4-pyridinyl)quinoxaline-5-carboxamide
CID 110701472
N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide
CID 104578190
N-(3-bromo-4-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103874376
2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide (CID 104578289) is N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide is O=C(Nc1ccncc1Br)c1cccc2nccnc12.
What is the InChIKey of N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide?
The InChIKey is FWNVWMKHVDLJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4O/c15-10-8-16-5-4-11(10)19-14(20)9-2-1-3-12-13(9)18-7-6-17-12/h1-8H,(H,16,19,20).
What are the key properties of N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide?
N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide has a molecular weight of 329.16 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104578289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).