2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide

C13H18BrN3O — CID 62153959

IUPAC2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cc(Br)cnc1N)C1CCCC1
InChIInChI=1S/C13H18BrN3O/c1-2-17(10-5-3-4-6-10)13(18)11-7-9(14)8-16-12(11)15/h7-8,10H,2-6H2,1H3,(H2,15,16)
InChIKeyWKGOHHLHUUGDSR-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.83
Rot. Bonds3

About 2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide

2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide (PubChem CID 62153959) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide
PubChem CID62153959
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cc(Br)cnc1N)C1CCCC1
InChIInChI=1S/C13H18BrN3O/c1-2-17(10-5-3-4-6-10)13(18)11-7-9(14)8-16-12(11)15/h7-8,10H,2-6H2,1H3,(H2,15,16)
InChIKeyWKGOHHLHUUGDSR-UHFFFAOYSA-N
XLogP2.83
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 55042078
2-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62187031
5-bromo-N-cyclopentyl-N-ethyl-2-methylbenzamide
CID 65306938
5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
CID 62167913
4-amino-N-cyclopentyl-N-ethylpyridine-3-carboxamide
CID 81242271
2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide
CID 118238040
(2-amino-5-bromo-3-pyridinyl)-cyclopentylmethanone
CID 59699866
2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 55041522
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968760
5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
CID 62814715

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide (CID 62153959) is 2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide is CCN(C(=O)c1cc(Br)cnc1N)C1CCCC1.
What is the InChIKey of 2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide?
The InChIKey is WKGOHHLHUUGDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-2-17(10-5-3-4-6-10)13(18)11-7-9(14)8-16-12(11)15/h7-8,10H,2-6H2,1H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide?
2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 62153959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).