N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide

C13H18BrN3O — CID 106737450

IUPACN-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide
SMILESNCC(NC(=O)c1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C13H18BrN3O/c14-11-5-10(7-16-8-11)13(18)17-12(6-15)9-3-1-2-4-9/h5,7-9,12H,1-4,6,15H2,(H,17,18)
InChIKeyJQQNZPCYGPCFPM-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.09
Rot. Bonds4

About N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide

N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide (PubChem CID 106737450) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide
PubChem CID106737450
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC NameN-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide
SMILESNCC(NC(=O)c1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C13H18BrN3O/c14-11-5-10(7-16-8-11)13(18)17-12(6-15)9-3-1-2-4-9/h5,7-9,12H,1-4,6,15H2,(H,17,18)
InChIKeyJQQNZPCYGPCFPM-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
CID 119589722
N-(2-amino-1-cyclohexylethyl)-5-phenylpyridine-3-carboxamide
CID 119590618
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide
CID 65188915
N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
CID 106737293
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(1-aminopentan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191484
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide
CID 106737241
N-(2-amino-1-cyclohexylethyl)-1-methylpyrazole-4-carboxamide
CID 81425114

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide (CID 106737450) is N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide is NCC(NC(=O)c1cncc(Br)c1)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide?
The InChIKey is JQQNZPCYGPCFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-11-5-10(7-16-8-11)13(18)17-12(6-15)9-3-1-2-4-9/h5,7-9,12H,1-4,6,15H2,(H,17,18).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide?
N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 106737450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).