2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one

C17H18F2N4O3 — CID 154613378

IUPAC2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one
SMILES[H]/N=C(\CN1CCOCC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C17H18F2N4O3/c18-9-2-1-3-10(19)12(9)14-16(25)15(24)13(17(21)22-14)11(20)8-23-4-6-26-7-5-23/h1-3,20,25H,4-8H2,(H3,21,22,24)/b20-11+
InChIKeyDKGXXMSHDBSFFJ-RGVLZGJSSA-N
MW364.35 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one

2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one (PubChem CID 154613378) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one
PubChem CID154613378
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one
SMILES[H]/N=C(\CN1CCOCC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C17H18F2N4O3/c18-9-2-1-3-10(19)12(9)14-16(25)15(24)13(17(21)22-14)11(20)8-23-4-6-26-7-5-23/h1-3,20,25H,4-8H2,(H3,21,22,24)/b20-11+
InChIKeyDKGXXMSHDBSFFJ-RGVLZGJSSA-N
XLogP1.31
TPSA115.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.31
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)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one?
The IUPAC name of 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one (CID 154613378) is 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one?
The canonical SMILES for 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one is [H]/N=C(\CN1CCOCC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O.
What is the InChIKey of 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one?
The InChIKey is DKGXXMSHDBSFFJ-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c18-9-2-1-3-10(19)12(9)14-16(25)15(24)13(17(21)22-14)11(20)8-23-4-6-26-7-5-23/h1-3,20,25H,4-8H2,(H3,21,22,24)/b20-11+.
What are the key properties of 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one?
2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one has a molecular weight of 364.35 g/mol, XLogP of 1.31, 4 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)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one is sourced from PubChem (CID 154613378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).