2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide

C12H16BrN3O — CID 114222312

IUPAC2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)Nc1cncc(Br)c1
InChIInChI=1S/C12H16BrN3O/c13-9-4-10(7-15-6-9)16-12(17)11-3-1-2-8(11)5-14/h4,6-8,11H,1-3,5,14H2,(H,16,17)
InChIKeyLSGMGDSGIRYNRZ-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.16
Rot. Bonds3

About 2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide

2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide (PubChem CID 114222312) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide
PubChem CID114222312
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)Nc1cncc(Br)c1
InChIInChI=1S/C12H16BrN3O/c13-9-4-10(7-15-6-9)16-12(17)11-3-1-2-8(11)5-14/h4,6-8,11H,1-3,5,14H2,(H,16,17)
InChIKeyLSGMGDSGIRYNRZ-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
CID 114254668
2-(aminomethyl)-N-(3-bromo-5-methylphenyl)cyclohexane-1-carboxamide
CID 107583536
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82756721
2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 82868300
N-(5-bromo-3-pyridinyl)-2-cyclopropylacetamide
CID 130164428
2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 107790344
N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130164401
2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 115657758
2-(aminomethyl)-N-(3-chloro-4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 107679848
2-(aminomethyl)-N-(4-chloro-3-methoxyphenyl)cyclopentane-1-carboxamide
CID 107621850
5-[(5-bromo-3-pyridinyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 114222657
2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide
CID 114222291

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide (CID 114222312) is 2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide is NCC1CCCC1C(=O)Nc1cncc(Br)c1.
What is the InChIKey of 2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide?
The InChIKey is LSGMGDSGIRYNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-9-4-10(7-15-6-9)16-12(17)11-3-1-2-8(11)5-14/h4,6-8,11H,1-3,5,14H2,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide?
2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114222312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).