2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone

C13H18BrN3O — CID 113255900

IUPAC2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
SMILESCc1cc(Br)cnc1NCC(=O)N1CCCCC1
InChIInChI=1S/C13H18BrN3O/c1-10-7-11(14)8-15-13(10)16-9-12(18)17-5-3-2-4-6-17/h7-8H,2-6,9H2,1H3,(H,15,16)
InChIKeyZTACPTYQOLGNTG-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.58
Rot. Bonds3

About 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone

2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone (PubChem CID 113255900) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
PubChem CID113255900
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
SMILESCc1cc(Br)cnc1NCC(=O)N1CCCCC1
InChIInChI=1S/C13H18BrN3O/c1-10-7-11(14)8-15-13(10)16-9-12(18)17-5-3-2-4-6-17/h7-8H,2-6,9H2,1H3,(H,15,16)
InChIKeyZTACPTYQOLGNTG-UHFFFAOYSA-N
XLogP2.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112699008
5-bromo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 113406289
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
1-(azepan-1-yl)-2-(4-bromo-2-methylanilino)ethanone
CID 28572456
1-(azepan-1-yl)-2-(4-bromo-3,5-dimethylanilino)ethanone
CID 107573726
N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 67362705
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 112699018
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 43806024
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 112698994
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 71891929
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
CID 167870567
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone (CID 113255900) is 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone is Cc1cc(Br)cnc1NCC(=O)N1CCCCC1.
What is the InChIKey of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is ZTACPTYQOLGNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-10-7-11(14)8-15-13(10)16-9-12(18)17-5-3-2-4-6-17/h7-8H,2-6,9H2,1H3,(H,15,16).
What are the key properties of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone?
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 312.21 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 113255900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).