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

C14H13F2N3O2 — CID 163599067

IUPAC2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one
SMILES[H]/N=C(\CC)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C14H13F2N3O2/c1-2-8(17)10-12(20)13(21)11(19-14(10)18)9-6(15)4-3-5-7(9)16/h3-5,17,21H,2H2,1H3,(H3,18,19,20)/b17-8+
InChIKeyGWAUKQZYHFOCAJ-CAOOACKPSA-N
MW293.27 g/mol
LogP2.39
Rot. Bonds3

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

2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one (PubChem CID 163599067) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one
PubChem CID163599067
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one
SMILES[H]/N=C(\CC)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C14H13F2N3O2/c1-2-8(17)10-12(20)13(21)11(19-14(10)18)9-6(15)4-3-5-7(9)16/h3-5,17,21H,2H2,1H3,(H3,18,19,20)/b17-8+
InChIKeyGWAUKQZYHFOCAJ-CAOOACKPSA-N
XLogP2.39
TPSA102.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-propanimidoyl-1H-pyridin-4-one?
The IUPAC name of 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one (CID 163599067) is 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one?
The canonical SMILES for 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one is [H]/N=C(\CC)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-propanimidoyl-1H-pyridin-4-one?
The InChIKey is GWAUKQZYHFOCAJ-CAOOACKPSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-2-8(17)10-12(20)13(21)11(19-14(10)18)9-6(15)4-3-5-7(9)16/h3-5,17,21H,2H2,1H3,(H3,18,19,20)/b17-8+.
What are the key properties of 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one?
2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one has a molecular weight of 293.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one is sourced from PubChem (CID 163599067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).