2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide

C12H16BrN3O — CID 104778295

IUPAC2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide
SMILESNC(=O)CN(c1ccncc1Br)C1CCCC1
InChIInChI=1S/C12H16BrN3O/c13-10-7-15-6-5-11(10)16(8-12(14)17)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H2,14,17)
InChIKeyZGDMYQIFUQPPHV-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.08
Rot. Bonds4

About 2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide

2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide (PubChem CID 104778295) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide
PubChem CID104778295
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide
SMILESNC(=O)CN(c1ccncc1Br)C1CCCC1
InChIInChI=1S/C12H16BrN3O/c13-10-7-15-6-5-11(10)16(8-12(14)17)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H2,14,17)
InChIKeyZGDMYQIFUQPPHV-UHFFFAOYSA-N
XLogP2.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
CID 113452105
2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide
CID 62908195
3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide
CID 104776684
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-fluoropyridine-4-carboxamide
CID 115645919
2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide
CID 66318147
3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile
CID 104776567
2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine
CID 102639487
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine
CID 80668501
2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide
CID 54988862
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide
CID 136971088
2-(4-carbamothioyl-N-cyclopentyl-2,3-difluoroanilino)acetamide
CID 107934762
2-[cyclopentyl(pyrazin-2-yl)amino]acetic acid
CID 60838829

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide?
The IUPAC name of 2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide (CID 104778295) is 2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide is NC(=O)CN(c1ccncc1Br)C1CCCC1.
What is the InChIKey of 2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide?
The InChIKey is ZGDMYQIFUQPPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-10-7-15-6-5-11(10)16(8-12(14)17)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H2,14,17).
What are the key properties of 2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide?
2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide has a molecular weight of 298.18 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide is sourced from PubChem (CID 104778295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).