N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide

C13H12BrN3O2 — CID 105063037

IUPACN-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C13H12BrN3O2/c1-19-12-7-16-5-4-9(12)13(18)17-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3,(H,17,18)
InChIKeyRWDVVGMPKNIBBQ-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.69
Rot. Bonds3

About N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide

N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide (PubChem CID 105063037) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
PubChem CID105063037
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC NameN-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C13H12BrN3O2/c1-19-12-7-16-5-4-9(12)13(18)17-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3,(H,17,18)
InChIKeyRWDVVGMPKNIBBQ-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-(4-amino-3-bromophenyl)-3-methoxypyridine-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

N-(3-fluoro-4-hydroxyphenyl)-3-methoxypyridine-4-carboxamide
CID 105063689
N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 80717929
3-methoxy-N-(3-sulfamoylphenyl)pyridine-4-carboxamide
CID 105064331
N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide
CID 105062979
3-methoxy-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 105063971
N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063564
N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063604
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435
methyl N-(4-amino-3-bromophenyl)carbamate
CID 82861669
N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide
CID 105063448
N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide
CID 105062950
N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide
CID 115368565

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide (CID 105063037) is N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)Nc1ccc(N)c(Br)c1.
What is the InChIKey of N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is RWDVVGMPKNIBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-19-12-7-16-5-4-9(12)13(18)17-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide?
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-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-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105063037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).