N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide

C13H12BrN3O2 — CID 107519991

IUPACN-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2ncccc2Br)c1
InChIInChI=1S/C13H12BrN3O2/c1-19-8-4-5-10(15)11(7-8)17-13(18)12-9(14)3-2-6-16-12/h2-7H,15H2,1H3,(H,17,18)
InChIKeyUSACSZSWWGYXQX-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.69
Rot. Bonds3

About N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide

N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide (PubChem CID 107519991) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide
PubChem CID107519991
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC NameN-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2ncccc2Br)c1
InChIInChI=1S/C13H12BrN3O2/c1-19-8-4-5-10(15)11(7-8)17-13(18)12-9(14)3-2-6-16-12/h2-7H,15H2,1H3,(H,17,18)
InChIKeyUSACSZSWWGYXQX-UHFFFAOYSA-N
XLogP2.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide
CID 100626148
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
3-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-2-carboxamide
CID 107517604
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 107518279
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
CID 54878484
N-(3-amino-2,6-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516838
N-(2-amino-5-methoxyphenyl)-2,6-dichlorobenzamide
CID 63257918
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882
methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate
CID 107518080
2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614444

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide (CID 107519991) is N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide is COc1ccc(N)c(NC(=O)c2ncccc2Br)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide?
The InChIKey is USACSZSWWGYXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-19-8-4-5-10(15)11(7-8)17-13(18)12-9(14)3-2-6-16-12/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide?
N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide has a molecular weight of 322.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide is sourced from PubChem (CID 107519991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).