2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide

C12H17BrN4O — CID 114156475

IUPAC2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2cccc(Br)n2)CC1
InChIInChI=1S/C12H17BrN4O/c13-10-2-1-3-12(16-10)15-9-4-6-17(7-5-9)8-11(14)18/h1-3,9H,4-8H2,(H2,14,18)(H,15,16)
InChIKeyUKJKTRTVFKBMNS-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.21
Rot. Bonds4

About 2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide

2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide (PubChem CID 114156475) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide
PubChem CID114156475
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2cccc(Br)n2)CC1
InChIInChI=1S/C12H17BrN4O/c13-10-2-1-3-12(16-10)15-9-4-6-17(7-5-9)8-11(14)18/h1-3,9H,4-8H2,(H2,14,18)(H,15,16)
InChIKeyUKJKTRTVFKBMNS-UHFFFAOYSA-N
XLogP1.21
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 54895410
2-[4-[(5-fluoro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 61311404
2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 79825671
2-[4-[(5-aminopyrazin-2-yl)amino]piperidin-1-yl]acetamide
CID 80652731
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(6-bromo-2-pyridinyl)amino]piperidine-1-carboxylate
CID 89480970
2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 103888341
2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 60726886
2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 106193249
2-[4-(imidazo[1,2-a]pyridin-5-ylamino)piperidin-1-yl]acetamide
CID 102625426
2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60707706
2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide
CID 75454004
6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide
CID 173112160

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide (CID 114156475) is 2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(Nc2cccc(Br)n2)CC1.
What is the InChIKey of 2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The InChIKey is UKJKTRTVFKBMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c13-10-2-1-3-12(16-10)15-9-4-6-17(7-5-9)8-11(14)18/h1-3,9H,4-8H2,(H2,14,18)(H,15,16).
What are the key properties of 2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide?
2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide has a molecular weight of 313.20 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 114156475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).