N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide

C13H11BrN4O3 — CID 104641755

IUPACN-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nc1
InChIInChI=1S/C13H11BrN4O3/c1-15-9-3-5-11(16-7-9)13(19)17-8-2-4-10(14)12(6-8)18(20)21/h2-7,15H,1H3,(H,17,19)
InChIKeyBFNRWTWSEMJSHX-UHFFFAOYSA-N
MW351.16 g/mol
LogP3.05
Rot. Bonds4

About N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide

N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide (PubChem CID 104641755) has the molecular formula C13H11BrN4O3 and a molecular weight of 351.16 g/mol. Its IUPAC name is N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide
PubChem CID104641755
Molecular FormulaC13H11BrN4O3
Molecular Weight351.16 g/mol
Exact Mass350.00
IUPAC NameN-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nc1
InChIInChI=1S/C13H11BrN4O3/c1-15-9-3-5-11(16-7-9)13(19)17-8-2-4-10(14)12(6-8)18(20)21/h2-7,15H,1H3,(H,17,19)
InChIKeyBFNRWTWSEMJSHX-UHFFFAOYSA-N
XLogP3.05
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 53.05
H-Bond Donors ≤ 52
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

5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 104640079
6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide
CID 79767632
5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide
CID 82865202
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
2-amino-N-(4-bromo-3-nitrophenyl)pyridine-3-carboxamide
CID 79767789
methyl N-(4-bromo-3-nitrophenyl)carbamate
CID 116656693
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide
CID 103816409
N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 79760195
N-(4-bromo-3-nitrophenyl)-2-chloropropanamide
CID 79768319
N-(3-bromo-5-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 107578475
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
N-(4-bromo-3-nitrophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 75440008

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide (CID 104641755) is N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide is CNc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nc1.
What is the InChIKey of N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide?
The InChIKey is BFNRWTWSEMJSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O3/c1-15-9-3-5-11(16-7-9)13(19)17-8-2-4-10(14)12(6-8)18(20)21/h2-7,15H,1H3,(H,17,19).
What are the key properties of N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide?
N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide has a molecular weight of 351.16 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).