5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide

C14H12BrN3O2 — CID 47460528

IUPAC5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(N)=O)nc2)ccc1Br
InChIInChI=1S/C14H12BrN3O2/c1-8-6-10(3-4-11(8)15)18-14(20)9-2-5-12(13(16)19)17-7-9/h2-7H,1H3,(H2,16,19)(H,18,20)
InChIKeyFELRGUOXELBCKT-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.50
Rot. Bonds3

About 5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide

5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide (PubChem CID 47460528) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide
PubChem CID47460528
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(N)=O)nc2)ccc1Br
InChIInChI=1S/C14H12BrN3O2/c1-8-6-10(3-4-11(8)15)18-14(20)9-2-5-12(13(16)19)17-7-9/h2-7H,1H3,(H2,16,19)(H,18,20)
InChIKeyFELRGUOXELBCKT-UHFFFAOYSA-N
XLogP2.50
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 55036943
5-N-(4-bromophenyl)pyridine-2,5-dicarboxamide
CID 47460208
5-N-(3,4-dichlorophenyl)pyridine-2,5-dicarboxamide
CID 47460215
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227
5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide
CID 109197124
5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide
CID 47460385
2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109265249
5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 63998822
5-N-(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 47460212
N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide
CID 27374782
N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide
CID 82861470

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide (CID 47460528) is 5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide is Cc1cc(NC(=O)c2ccc(C(N)=O)nc2)ccc1Br.
What is the InChIKey of 5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide?
The InChIKey is FELRGUOXELBCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-8-6-10(3-4-11(8)15)18-14(20)9-2-5-12(13(16)19)17-7-9/h2-7H,1H3,(H2,16,19)(H,18,20).
What are the key properties of 5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide?
5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide has a molecular weight of 334.17 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 47460528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).