6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide

C13H12BrN3O — CID 55036943

IUPAC6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(N)nc2)ccc1Br
InChIInChI=1S/C13H12BrN3O/c1-8-6-10(3-4-11(8)14)17-13(18)9-2-5-12(15)16-7-9/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyYEQXJMRWHZRWIJ-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.99
Rot. Bonds2

About 6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide

6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide (PubChem CID 55036943) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
PubChem CID55036943
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(N)nc2)ccc1Br
InChIInChI=1S/C13H12BrN3O/c1-8-6-10(3-4-11(8)14)17-13(18)9-2-5-12(15)16-7-9/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyYEQXJMRWHZRWIJ-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide
CID 47460528
6-amino-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 62059203
N-(4-acetamidophenyl)-6-aminopyridine-3-carboxamide
CID 110861506
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide
CID 82861470
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109265249
N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide
CID 27374782
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide (CID 55036943) is 6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(N)nc2)ccc1Br.
What is the InChIKey of 6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is YEQXJMRWHZRWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-6-10(3-4-11(8)14)17-13(18)9-2-5-12(15)16-7-9/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide?
6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 55036943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).