2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide

C13H11BrN2O — CID 86695841

IUPAC2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C13H11BrN2O/c1-9-3-2-4-11(7-9)16-13(17)10-5-6-15-12(14)8-10/h2-8H,1H3,(H,16,17)
InChIKeyUUJHBWHZLPVMFV-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.40
Rot. Bonds2

About 2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide

2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide (PubChem CID 86695841) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
PubChem CID86695841
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C13H11BrN2O/c1-9-3-2-4-11(7-9)16-13(17)10-5-6-15-12(14)8-10/h2-8H,1H3,(H,16,17)
InChIKeyUUJHBWHZLPVMFV-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
methyl N-[3-[(2-bromopyridine-4-carbonyl)amino]phenyl]carbamate
CID 103752502
2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103755964
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide
CID 103754216
4-N-(4-acetamidophenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091241
2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109176245
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
2-N-(3-fluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091177
N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172134
2-N-(3,4-difluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091189
2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide (CID 86695841) is 2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide is Cc1cccc(NC(=O)c2ccnc(Br)c2)c1.
What is the InChIKey of 2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide?
The InChIKey is UUJHBWHZLPVMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-3-2-4-11(7-9)16-13(17)10-5-6-15-12(14)8-10/h2-8H,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide?
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide has a molecular weight of 291.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 86695841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).