5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one

C11H14BrN3O — CID 106875729

IUPAC5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one
SMILESCc1ccnc(NC2CCC(=O)NC2)c1Br
InChIInChI=1S/C11H14BrN3O/c1-7-4-5-13-11(10(7)12)15-8-2-3-9(16)14-6-8/h4-5,8H,2-3,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyTWVCNWHPXDBWAO-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.84
Rot. Bonds2

About 5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one

5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one (PubChem CID 106875729) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one
PubChem CID106875729
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one
SMILESCc1ccnc(NC2CCC(=O)NC2)c1Br
InChIInChI=1S/C11H14BrN3O/c1-7-4-5-13-11(10(7)12)15-8-2-3-9(16)14-6-8/h4-5,8H,2-3,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyTWVCNWHPXDBWAO-UHFFFAOYSA-N
XLogP1.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one?
The IUPAC name of 5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one (CID 106875729) is 5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one?
The canonical SMILES for 5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one is Cc1ccnc(NC2CCC(=O)NC2)c1Br.
What is the InChIKey of 5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one?
The InChIKey is TWVCNWHPXDBWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-7-4-5-13-11(10(7)12)15-8-2-3-9(16)14-6-8/h4-5,8H,2-3,6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one?
5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one has a molecular weight of 284.16 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one is sourced from PubChem (CID 106875729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).