N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide

C13H10BrN3O4 — CID 86816899

IUPACN-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Br)cc1=O
InChIInChI=1S/C13H10BrN3O4/c1-16-6-5-8(7-11(16)18)13(19)15-9-3-2-4-10(12(9)14)17(20)21/h2-7H,1H3,(H,15,19)
InChIKeyQVGUTULLLXQLMY-UHFFFAOYSA-N
MW352.14 g/mol
LogP2.31
Rot. Bonds3

About N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 86816899) has the molecular formula C13H10BrN3O4 and a molecular weight of 352.14 g/mol. Its IUPAC name is N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID86816899
Molecular FormulaC13H10BrN3O4
Molecular Weight352.14 g/mol
Exact Mass350.99
IUPAC NameN-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Br)cc1=O
InChIInChI=1S/C13H10BrN3O4/c1-16-6-5-8(7-11(16)18)13(19)15-9-3-2-4-10(12(9)14)17(20)21/h2-7H,1H3,(H,15,19)
InChIKeyQVGUTULLLXQLMY-UHFFFAOYSA-N
XLogP2.31
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide
CID 103610887
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
2-chloro-6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]benzoic acid
CID 63722587
1-methyl-2-oxo-N-(2-propylphenyl)pyridine-4-carboxamide
CID 31870618
4-bromo-1-methyl-N-(2-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 60698474
N-(2-bromo-4-chlorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103774923
N-(4-iodophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103610749
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763240
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 86816899) is N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Br)cc1=O.
What is the InChIKey of N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is QVGUTULLLXQLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O4/c1-16-6-5-8(7-11(16)18)13(19)15-9-3-2-4-10(12(9)14)17(20)21/h2-7H,1H3,(H,15,19).
What are the key properties of N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 352.14 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 86816899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).