2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide

C13H18BrN3O — CID 113234633

IUPAC2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide
SMILESNC(=O)CN(Cc1ccc(Br)cn1)C1CCCC1
InChIInChI=1S/C13H18BrN3O/c14-10-5-6-11(16-7-10)8-17(9-13(15)18)12-3-1-2-4-12/h5-7,12H,1-4,8-9H2,(H2,15,18)
InChIKeyKQOZGUYENQXMKV-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.07
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide

2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide (PubChem CID 113234633) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide
PubChem CID113234633
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide
SMILESNC(=O)CN(Cc1ccc(Br)cn1)C1CCCC1
InChIInChI=1S/C13H18BrN3O/c14-10-5-6-11(16-7-10)8-17(9-13(15)18)12-3-1-2-4-12/h5-7,12H,1-4,8-9H2,(H2,15,18)
InChIKeyKQOZGUYENQXMKV-UHFFFAOYSA-N
XLogP2.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetic acid
CID 113394093
N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 104798115
2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol
CID 113239605
2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid
CID 107440806
2-[(5-bromo-3-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113224901
2-[(6-amino-3-chloro-2-pyridinyl)methyl-cyclopentylamino]acetamide
CID 62891161
2-[cyclopentyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]acetamide
CID 79244784
N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 115622615
2-[cyclopentyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 82973746
2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 56813193
3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid
CID 54988944
2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide
CID 115903836

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide (CID 113234633) is 2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide is NC(=O)CN(Cc1ccc(Br)cn1)C1CCCC1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide?
The InChIKey is KQOZGUYENQXMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-10-5-6-11(16-7-10)8-17(9-13(15)18)12-3-1-2-4-12/h5-7,12H,1-4,8-9H2,(H2,15,18).
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide?
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide has a molecular weight of 312.21 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide is sourced from PubChem (CID 113234633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).