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

C19H22F3N5O2 — CID 154613376

IUPAC2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one
SMILES[H]/N=C(\CN1CCN(CCF)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C19H22F3N5O2/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)/b23-13+
InChIKeyLOGBOXUZVLEOEF-YDZHTSKRSA-N
MW409.41 g/mol
LogP1.56
Rot. Bonds6

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

2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one (PubChem CID 154613376) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 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.

Molecular Properties

Compound Name2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one
PubChem CID154613376
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one
SMILES[H]/N=C(\CN1CCN(CCF)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C19H22F3N5O2/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)/b23-13+
InChIKeyLOGBOXUZVLEOEF-YDZHTSKRSA-N
XLogP1.56
TPSA109.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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?
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 (CID 154613376) is 2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one.
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?
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 is [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?
The InChIKey is LOGBOXUZVLEOEF-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H22F3N5O2/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)/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?
2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one has a molecular weight of 409.41 g/mol, XLogP of 1.56, 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 is sourced from PubChem (CID 154613376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).