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

C14H12BrN3O3 — CID 115681603

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide
SMILESCc1cc(C(=O)Nc2cc(C)c(Br)cn2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H12BrN3O3/c1-8-3-10(6-11(4-8)18(20)21)14(19)17-13-5-9(2)12(15)7-16-13/h3-7H,1-2H3,(H,16,17,19)
InChIKeyFZWMBXXZISPHCC-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.62
Rot. Bonds3

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

N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide (PubChem CID 115681603) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide
PubChem CID115681603
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide
SMILESCc1cc(C(=O)Nc2cc(C)c(Br)cn2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H12BrN3O3/c1-8-3-10(6-11(4-8)18(20)21)14(19)17-13-5-9(2)12(15)7-16-13/h3-7H,1-2H3,(H,16,17,19)
InChIKeyFZWMBXXZISPHCC-UHFFFAOYSA-N
XLogP3.62
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 81323954
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 79736442
3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 47429652
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide
CID 79735970
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
N-(3-bromo-4-pyridinyl)-3-methyl-5-nitrobenzamide
CID 115869327
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide
CID 79733435
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-5-nitrobenzamide
CID 47429735
N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 46307937
3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
CID 162519913

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide (CID 115681603) is N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide is Cc1cc(C(=O)Nc2cc(C)c(Br)cn2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide?
The InChIKey is FZWMBXXZISPHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c1-8-3-10(6-11(4-8)18(20)21)14(19)17-13-5-9(2)12(15)7-16-13/h3-7H,1-2H3,(H,16,17,19).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide?
N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide has a molecular weight of 350.17 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide is sourced from PubChem (CID 115681603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).