N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide

C18H22BrN3O2 — CID 119653810

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C18H22BrN3O2/c1-18(2,11-20)12-22(3)17(23)15-5-4-10-21-16(15)24-14-8-6-13(19)7-9-14/h4-10H,11-12,20H2,1-3H3
InChIKeyFSTIUQFSRZSCAQ-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.69
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide (PubChem CID 119653810) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide
PubChem CID119653810
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C18H22BrN3O2/c1-18(2,11-20)12-22(3)17(23)15-5-4-10-21-16(15)24-14-8-6-13(19)7-9-14/h4-10H,11-12,20H2,1-3H3
InChIKeyFSTIUQFSRZSCAQ-UHFFFAOYSA-N
XLogP3.69
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 55687965
N-(2-amino-2-methylpropyl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 119627181
N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 78873503
2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide
CID 55970285
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide
CID 119652808
N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119654418
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119654497
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119652511
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide (CID 119653810) is N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide is CN(CC(C)(C)CN)C(=O)c1cccnc1Oc1ccc(Br)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide?
The InChIKey is FSTIUQFSRZSCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c1-18(2,11-20)12-22(3)17(23)15-5-4-10-21-16(15)24-14-8-6-13(19)7-9-14/h4-10H,11-12,20H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 119653810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).