N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide

C14H14BrN3O — CID 107516937

IUPACN-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ncccc2Br)c(C)cc1N
InChIInChI=1S/C14H14BrN3O/c1-8-7-12(9(2)6-11(8)16)18-14(19)13-10(15)4-3-5-17-13/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyIGDCWNAUOTZWBQ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.30
Rot. Bonds2

About N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide

N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide (PubChem CID 107516937) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
PubChem CID107516937
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ncccc2Br)c(C)cc1N
InChIInChI=1S/C14H14BrN3O/c1-8-7-12(9(2)6-11(8)16)18-14(19)13-10(15)4-3-5-17-13/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyIGDCWNAUOTZWBQ-UHFFFAOYSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 107518241
3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
CID 107519316
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
N-(3-amino-2,6-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516838
N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide
CID 107519991
3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 107519314
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882
3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 104741220
3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 107519556
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide (CID 107516937) is N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide is Cc1cc(NC(=O)c2ncccc2Br)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide?
The InChIKey is IGDCWNAUOTZWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-7-12(9(2)6-11(8)16)18-14(19)13-10(15)4-3-5-17-13/h3-7H,16H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide?
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide is sourced from PubChem (CID 107516937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).