3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one

C11H14F2N4O — CID 114074414

IUPAC3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one
SMILESCNc1nc(NC2CCCNC2=O)c(F)cc1F
InChIInChI=1S/C11H14F2N4O/c1-14-9-6(12)5-7(13)10(17-9)16-8-3-2-4-15-11(8)18/h5,8H,2-4H2,1H3,(H,15,18)(H2,14,16,17)
InChIKeyYDEQBWDNOIGWSZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.09
Rot. Bonds3

About 3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one

3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one (PubChem CID 114074414) has the molecular formula C11H14F2N4O and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one
PubChem CID114074414
Molecular FormulaC11H14F2N4O
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one
SMILESCNc1nc(NC2CCCNC2=O)c(F)cc1F
InChIInChI=1S/C11H14F2N4O/c1-14-9-6(12)5-7(13)10(17-9)16-8-3-2-4-15-11(8)18/h5,8H,2-4H2,1H3,(H,15,18)(H2,14,16,17)
InChIKeyYDEQBWDNOIGWSZ-UHFFFAOYSA-N
XLogP1.09
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one?
The IUPAC name of 3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one (CID 114074414) is 3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one?
The canonical SMILES for 3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one is CNc1nc(NC2CCCNC2=O)c(F)cc1F.
What is the InChIKey of 3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one?
The InChIKey is YDEQBWDNOIGWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O/c1-14-9-6(12)5-7(13)10(17-9)16-8-3-2-4-15-11(8)18/h5,8H,2-4H2,1H3,(H,15,18)(H2,14,16,17).
What are the key properties of 3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one?
3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one has a molecular weight of 256.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one is sourced from PubChem (CID 114074414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).