5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide

C16H13BrN4O2 — CID 126648599

IUPAC5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1cccc2nccnc12)C(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C16H13BrN4O2/c1-21(16(23)12-7-11(17)8-20-15(12)22)9-10-3-2-4-13-14(10)19-6-5-18-13/h2-8H,9H2,1H3,(H,20,22)
InChIKeyMSTNLGOVIDWRPT-UHFFFAOYSA-N
MW373.21 g/mol
LogP2.35
Rot. Bonds3

About 5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide

5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 126648599) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID126648599
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1cccc2nccnc12)C(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C16H13BrN4O2/c1-21(16(23)12-7-11(17)8-20-15(12)22)9-10-3-2-4-13-14(10)19-6-5-18-13/h2-8H,9H2,1H3,(H,20,22)
InChIKeyMSTNLGOVIDWRPT-UHFFFAOYSA-N
XLogP2.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126648643
5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 126648546
N-methyl-2-oxo-6-phenyl-N-(quinolin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 56908393
2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid
CID 104614064
N,6-dimethyl-N-[(2-methylphenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103696213
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide
CID 118091177
N-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18114103
N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717353
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 56905403
5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 56905197
N-(5-aminopentyl)-N-methylquinoxaline-5-carboxamide
CID 107206630

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide (CID 126648599) is 5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide is CN(Cc1cccc2nccnc12)C(=O)c1cc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MSTNLGOVIDWRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-21(16(23)12-7-11(17)8-20-15(12)22)9-10-3-2-4-13-14(10)19-6-5-18-13/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of 5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide?
5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126648599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).