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

C12H16BrN3O — CID 115435354

IUPAC1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)Nc2ncccc2Br)CCCC1
InChIInChI=1S/C12H16BrN3O/c13-9-4-3-7-15-10(9)16-11(17)12(8-14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14H2,(H,15,16,17)
InChIKeyFCVUNHBXOUQHJB-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.30
Rot. Bonds3

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

1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide (PubChem CID 115435354) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide
PubChem CID115435354
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)Nc2ncccc2Br)CCCC1
InChIInChI=1S/C12H16BrN3O/c13-9-4-3-7-15-10(9)16-11(17)12(8-14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14H2,(H,15,16,17)
InChIKeyFCVUNHBXOUQHJB-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide
CID 70056756
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80587648
1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107599762
1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide
CID 83166521
1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide
CID 113311587
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide
CID 115434790
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide
CID 79479131
1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707366
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide (CID 115435354) is 1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide is NCC1(C(=O)Nc2ncccc2Br)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide?
The InChIKey is FCVUNHBXOUQHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-9-4-3-7-15-10(9)16-11(17)12(8-14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14H2,(H,15,16,17).
What are the key properties of 1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 115435354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).