N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide

C14H14BrN3O2 — CID 107519972

IUPACN-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide
SMILESNCCOc1cccc(NC(=O)c2ncccc2Br)c1
InChIInChI=1S/C14H14BrN3O2/c15-12-5-2-7-17-13(12)14(19)18-10-3-1-4-11(9-10)20-8-6-16/h1-5,7,9H,6,8,16H2,(H,18,19)
InChIKeyPMZLPJXJUFLYBA-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.43
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide

N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide (PubChem CID 107519972) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide
PubChem CID107519972
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide
SMILESNCCOc1cccc(NC(=O)c2ncccc2Br)c1
InChIInChI=1S/C14H14BrN3O2/c15-12-5-2-7-17-13(12)14(19)18-10-3-1-4-11(9-10)20-8-6-16/h1-5,7,9H,6,8,16H2,(H,18,19)
InChIKeyPMZLPJXJUFLYBA-UHFFFAOYSA-N
XLogP2.43
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(2-aminoethoxy)phenyl]-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-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 107518301
N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide
CID 103806449
N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide
CID 104668880
N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide
CID 103806452
N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide
CID 63121269
N-[3-(2-aminoethoxy)phenyl]-3-methoxypyridine-4-carboxamide
CID 105062895
N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882
3-hydroxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-2-carboxamide
CID 51105835
N-[3-(2-aminoethoxy)phenyl]-4-ethylbenzamide
CID 43369477
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide (CID 107519972) is N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide is NCCOc1cccc(NC(=O)c2ncccc2Br)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide?
The InChIKey is PMZLPJXJUFLYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-12-5-2-7-17-13(12)14(19)18-10-3-1-4-11(9-10)20-8-6-16/h1-5,7,9H,6,8,16H2,(H,18,19).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide?
N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide is sourced from PubChem (CID 107519972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).