N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride

C16H20BrCl2N3O2 — CID 119625868

IUPACN-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1.Cl.Cl
InChIInChI=1S/C16H18BrN3O2.2ClH/c1-16(2,18)10-20-15(21)11-3-8-14(19-9-11)22-13-6-4-12(17)5-7-13;;/h3-9H,10,18H2,1-2H3,(H,20,21);2*1H
InChIKeyNOBLIAIUKLFVBA-UHFFFAOYSA-N
MW437.17 g/mol
LogP3.95
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride

N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119625868) has the molecular formula C16H20BrCl2N3O2 and a molecular weight of 437.17 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
PubChem CID119625868
Molecular FormulaC16H20BrCl2N3O2
Molecular Weight437.17 g/mol
Exact Mass435.01
IUPAC NameN-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1.Cl.Cl
InChIInChI=1S/C16H18BrN3O2.2ClH/c1-16(2,18)10-20-15(21)11-3-8-14(19-9-11)22-13-6-4-12(17)5-7-13;;/h3-9H,10,18H2,1-2H3,(H,20,21);2*1H
InChIKeyNOBLIAIUKLFVBA-UHFFFAOYSA-N
XLogP3.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.17
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride 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-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide
CID 49393966
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
6-(4-bromophenoxy)-N-[3-(thiophene-2-carbonylamino)propyl]pyridine-3-carboxamide
CID 60610306
6-(4-bromophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46488695
2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid
CID 120533319
N-(2-amino-2-methylpropyl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 119627181
6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 51117837
methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate
CID 70243352
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511
6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 55792268
6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide
CID 87017609

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride (CID 119625868) is N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride is CC(C)(N)CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is NOBLIAIUKLFVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2.2ClH/c1-16(2,18)10-20-15(21)11-3-8-14(19-9-11)22-13-6-4-12(17)5-7-13;;/h3-9H,10,18H2,1-2H3,(H,20,21);2*1H.
What are the key properties of N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride?
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 437.17 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119625868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).