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

C13H12BrN3O — CID 113447553

IUPAC3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ncccc1N
InChIInChI=1S/C13H12BrN3O/c1-8-7-9(14)4-5-11(8)17-13(18)12-10(15)3-2-6-16-12/h2-7H,15H2,1H3,(H,17,18)
InChIKeyHPLLLSARMHRNRZ-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.99
Rot. Bonds2

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

3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 113447553) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
PubChem CID113447553
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ncccc1N
InChIInChI=1S/C13H12BrN3O/c1-8-7-9(14)4-5-11(8)17-13(18)12-10(15)3-2-6-16-12/h2-7H,15H2,1H3,(H,17,18)
InChIKeyHPLLLSARMHRNRZ-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

3-amino-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741149
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687389
3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 113447794
3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 104741220
N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide
CID 62044989
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 18135661
2-amino-N-(4-bromo-2-methylphenyl)-6-methoxybenzamide
CID 81410020
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 107518241
4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62338930
3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 104741301
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide (CID 113447553) is 3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide is Cc1cc(Br)ccc1NC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is HPLLLSARMHRNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-7-9(14)4-5-11(8)17-13(18)12-10(15)3-2-6-16-12/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide?
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-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 3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 113447553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).