N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide

C14H18BrN3O — CID 107519919

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ncccc1Br)C1CC2CCC(C1)N2
InChIInChI=1S/C14H18BrN3O/c1-18(11-7-9-4-5-10(8-11)17-9)14(19)13-12(15)3-2-6-16-13/h2-3,6,9-11,17H,4-5,7-8H2,1H3
InChIKeyJUBQVXSZQXUIIC-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.20
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide (PubChem CID 107519919) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide
PubChem CID107519919
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ncccc1Br)C1CC2CCC(C1)N2
InChIInChI=1S/C14H18BrN3O/c1-18(11-7-9-4-5-10(8-11)17-9)14(19)13-12(15)3-2-6-16-13/h2-3,6,9-11,17H,4-5,7-8H2,1H3
InChIKeyJUBQVXSZQXUIIC-UHFFFAOYSA-N
XLogP2.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide
CID 107518523
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-6-fluoro-N-methylbenzamide
CID 114560175
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-bromo-N-methylthiophene-2-carboxamide
CID 98490112
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 107148379
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-bromo-4-fluoro-N-methylbenzamide
CID 100657836
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
N-(1-ethylpiperidin-4-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55002979
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
CID 61232970
3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 107520178
2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide
CID 61230371

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide (CID 107519919) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide is CN(C(=O)c1ncccc1Br)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide?
The InChIKey is JUBQVXSZQXUIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-18(11-7-9-4-5-10(8-11)17-9)14(19)13-12(15)3-2-6-16-13/h2-3,6,9-11,17H,4-5,7-8H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 107519919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).