N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide

C12H11BrN4O3 — CID 79048284

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1Br
InChIInChI=1S/C12H11BrN4O3/c1-7-8(13)3-5-10(14-7)15-12(18)9-4-6-11(16(9)2)17(19)20/h3-6H,1-2H3,(H,14,15,18)
InChIKeyUNLIWUDEZJQBDC-UHFFFAOYSA-N
MW339.15 g/mol
LogP2.65
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide (PubChem CID 79048284) has the molecular formula C12H11BrN4O3 and a molecular weight of 339.15 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide
PubChem CID79048284
Molecular FormulaC12H11BrN4O3
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1Br
InChIInChI=1S/C12H11BrN4O3/c1-7-8(13)3-5-10(14-7)15-12(18)9-4-6-11(16(9)2)17(19)20/h3-6H,1-2H3,(H,14,15,18)
InChIKeyUNLIWUDEZJQBDC-UHFFFAOYSA-N
XLogP2.65
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 52.65
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'}

Analyze N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-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

N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide
CID 104624620
N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 79041372
N-(5-bromo-6-methyl-2-pyridinyl)-3-fluoro-5-nitrobenzamide
CID 79118710
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 79048667
3-methyl-5-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43417371
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 25239366
N-(5-bromo-6-methyl-2-pyridinyl)furan-2-carboxamide
CID 955822
N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 79048580
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide (CID 79048284) is N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide is Cc1nc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide?
The InChIKey is UNLIWUDEZJQBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3/c1-7-8(13)3-5-10(14-7)15-12(18)9-4-6-11(16(9)2)17(19)20/h3-6H,1-2H3,(H,14,15,18).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide has a molecular weight of 339.15 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide is sourced from PubChem (CID 79048284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).