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

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Related Compounds

N-[(5S)-5-acetamido-6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-6-oxohexyl]prop-2-enamide
CID 71462878
(6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one
CID 129487999
(2S)-2-amino-N-(6-aminopyridin-2-yl)propanamide
CID 91826683
N-{1-Oxo-1-[4-(pyridin-2-YL)piperazin-1-YL]propan-2-YL}butanamide
CID 53161580
(2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide
CID 70981492
(2s)-1-[(6-Aminopyridin-2-Yl)amino]-1-Oxopropan-2-Aminium
CID 91826682
2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
CID 75484734
(3S)-3-[(3-fluoro-2-pyridinyl)amino]piperidin-2-one
CID 94573874
(6R)-6-Methyl-4-[6-(trifluoromethyl)pyridin-2-YL]piperazin-2-one
CID 129488092
N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide
CID 13290766
6-Amino-2-(4-acetyl-1-piperazinyl)-3-fluoropyridine
CID 21790133
(2S,4R)-4-fluoro-N-(5-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 57937059

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).