6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide

C14H12BrN3O3 — CID 66465119

IUPAC6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Br)nc2)c([N+](=O)[O-])cc1C
InChIInChI=1S/C14H12BrN3O3/c1-8-5-11(12(18(20)21)6-9(8)2)17-14(19)10-3-4-13(15)16-7-10/h3-7H,1-2H3,(H,17,19)
InChIKeyFLQNJCVWLJDJRF-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.62
Rot. Bonds3

About 6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide

6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide (PubChem CID 66465119) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide
PubChem CID66465119
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Br)nc2)c([N+](=O)[O-])cc1C
InChIInChI=1S/C14H12BrN3O3/c1-8-5-11(12(18(20)21)6-9(8)2)17-14(19)10-3-4-13(15)16-7-10/h3-7H,1-2H3,(H,17,19)
InChIKeyFLQNJCVWLJDJRF-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide 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

6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 113263005
6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide
CID 81306494
N-(4,5-dimethyl-2-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 79692955
5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide
CID 107372032
6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 115912537
5-bromo-N-(4,5-dimethyl-2-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 79987721
6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 66464924
N-(4,5-dimethyl-2-nitrophenyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 5262009
4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide
CID 8865660
6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334878
4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
CID 103145399
6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 66462513

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide (CID 66465119) is 6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(Br)nc2)c([N+](=O)[O-])cc1C.
What is the InChIKey of 6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is FLQNJCVWLJDJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c1-8-5-11(12(18(20)21)6-9(8)2)17-14(19)10-3-4-13(15)16-7-10/h3-7H,1-2H3,(H,17,19).
What are the key properties of 6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide?
6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide 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 6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66465119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).