2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane

C20H26F3N5O2 — CID 160950320

IUPAC2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane
SMILESC.[H]/N=C(\CN1CCN(CCF)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C19H22F3N5O2.CH4/c20-4-5-26-6-8-27(9-7-26)10-13(23)15-17(28)18(29)16(25-19(15)24)14-11(21)2-1-3-12(14)22;/h1-3,23,29H,4-10H2,(H3,24,25,28);1H4/b23-13+;
InChIKeySVRBAYLPUUMZBR-PUZWSPMBSA-N
MW425.46 g/mol
LogP2.20
Rot. Bonds6

About 2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane

2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane (PubChem CID 160950320) has the molecular formula C20H26F3N5O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane.

Molecular Properties

Compound Name2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane
PubChem CID160950320
Molecular FormulaC20H26F3N5O2
Molecular Weight425.46 g/mol
Exact Mass425.20
IUPAC Name2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane
SMILESC.[H]/N=C(\CN1CCN(CCF)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C19H22F3N5O2.CH4/c20-4-5-26-6-8-27(9-7-26)10-13(23)15-17(28)18(29)16(25-19(15)24)14-11(21)2-1-3-12(14)22;/h1-3,23,29H,4-10H2,(H3,24,25,28);1H4/b23-13+;
InChIKeySVRBAYLPUUMZBR-PUZWSPMBSA-N
XLogP2.20
TPSA109.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[6-(3,4-difluorophenyl)-3-ethanimidoyl-5-hydroxy-4-oxo-1H-pyridin-2-yl]-methylazanium
CID 142466607
2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one
CID 142466656
2-(2-fluorophenyl)-3-hydroxy-6-(2-methylpropylamino)-5-(2,2,2-trifluoroethanimidoyl)-1H-pyridin-4-one
CID 142466693
2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one
CID 154613376
2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one
CID 154613378
2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one
CID 154613431
2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one
CID 154613447
2-(2,6-difluorophenyl)-3-hydroxy-6-(methylamino)-5-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one
CID 154613476
5-ethanimidoyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-3-hydroxy-6-(2-morpholin-4-ylethylamino)-1H-pyridin-4-one
CID 154613481
2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one
CID 154613503
2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-(4-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one
CID 154613516
2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one
CID 154613526

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane?
The IUPAC name of 2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane (CID 160950320) is 2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane.
What is the SMILES notation for 2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane?
The canonical SMILES for 2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane is C.[H]/N=C(\CN1CCN(CCF)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O.
What is the InChIKey of 2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane?
The InChIKey is SVRBAYLPUUMZBR-PUZWSPMBSA-N. The full InChI is InChI=1S/C19H22F3N5O2.CH4/c20-4-5-26-6-8-27(9-7-26)10-13(23)15-17(28)18(29)16(25-19(15)24)14-11(21)2-1-3-12(14)22;/h1-3,23,29H,4-10H2,(H3,24,25,28);1H4/b23-13+;.
What are the key properties of 2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane?
2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane has a molecular weight of 425.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane is sourced from PubChem (CID 160950320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).