N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide

C13H11BrN4O3 — CID 60650974

IUPACN-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11BrN4O3/c1-15-10-4-2-8(6-11(10)18(20)21)13(19)17-12-5-3-9(14)7-16-12/h2-7,15H,1H3,(H,16,17,19)
InChIKeyLNQFNQXLZYMQNJ-UHFFFAOYSA-N
MW351.16 g/mol
LogP3.05
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide

N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide (PubChem CID 60650974) has the molecular formula C13H11BrN4O3 and a molecular weight of 351.16 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide
PubChem CID60650974
Molecular FormulaC13H11BrN4O3
Molecular Weight351.16 g/mol
Exact Mass350.00
IUPAC NameN-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11BrN4O3/c1-15-10-4-2-8(6-11(10)18(20)21)13(19)17-12-5-3-9(14)7-16-12/h2-7,15H,1H3,(H,16,17,19)
InChIKeyLNQFNQXLZYMQNJ-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

N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide
CID 62683040
4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 55135799
N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
CID 63212020
N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
CID 102740957
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 844632
N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide
CID 9431711
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 43243955
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide (CID 60650974) is N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide is CNc1ccc(C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide?
The InChIKey is LNQFNQXLZYMQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O3/c1-15-10-4-2-8(6-11(10)18(20)21)13(19)17-12-5-3-9(14)7-16-12/h2-7,15H,1H3,(H,16,17,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide?
N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide 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-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide is sourced from PubChem (CID 60650974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).