2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide

C13H11BrClN3O2 — CID 62187028

IUPAC2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C13H11BrClN3O2/c1-20-10-3-2-8(14)6-9(10)17-13(19)7-4-11(15)18-12(16)5-7/h2-6H,1H3,(H2,16,18)(H,17,19)
InChIKeyRNORIAGJVGFWFH-UHFFFAOYSA-N
MW356.61 g/mol
LogP3.34
Rot. Bonds3

About 2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide

2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide (PubChem CID 62187028) has the molecular formula C13H11BrClN3O2 and a molecular weight of 356.61 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide
PubChem CID62187028
Molecular FormulaC13H11BrClN3O2
Molecular Weight356.61 g/mol
Exact Mass354.97
IUPAC Name2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C13H11BrClN3O2/c1-20-10-3-2-8(14)6-9(10)17-13(19)7-4-11(15)18-12(16)5-7/h2-6H,1H3,(H2,16,18)(H,17,19)
InChIKeyRNORIAGJVGFWFH-UHFFFAOYSA-N
XLogP3.34
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-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

2-amino-N-(5-bromo-2-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62159768
2-amino-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 62187195
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 62153569
4-amino-N-(5-bromo-2-methoxyphenyl)-3,5-difluorobenzamide
CID 63185721
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
2-amino-6-chloro-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 62872287
2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide
CID 81275531
3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
CID 47317753
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
CID 62680442
N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875
2-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 103754801
N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 47317681

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide (CID 62187028) is 2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide is COc1ccc(Br)cc1NC(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide?
The InChIKey is RNORIAGJVGFWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O2/c1-20-10-3-2-8(14)6-9(10)17-13(19)7-4-11(15)18-12(16)5-7/h2-6H,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide?
2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide has a molecular weight of 356.61 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide is sourced from PubChem (CID 62187028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).