4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one

C20H19F2N5O2 — CID 136997379

IUPAC4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one
SMILES[H]/N=C(\c1ccc(NCCNO)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C20H19F2N5O2/c21-14-2-1-3-15(22)19(14)27-16-8-9-25-20(28)17(16)18(23)12-4-6-13(7-5-12)24-10-11-26-29/h1-9,23-24,26,29H,10-11H2,(H2,25,27,28)/b23-18+
InChIKeyZGWFDGFPNUVKGA-PTGBLXJZSA-N
MW399.40 g/mol
LogP3.20
Rot. Bonds8

About 4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one

4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one (PubChem CID 136997379) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one
PubChem CID136997379
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one
SMILES[H]/N=C(\c1ccc(NCCNO)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C20H19F2N5O2/c21-14-2-1-3-15(22)19(14)27-16-8-9-25-20(28)17(16)18(23)12-4-6-13(7-5-12)24-10-11-26-29/h1-9,23-24,26,29H,10-11H2,(H2,25,27,28)/b23-18+
InChIKeyZGWFDGFPNUVKGA-PTGBLXJZSA-N
XLogP3.20
TPSA113.03 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.40
LogP ≤ 53.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one?
The IUPAC name of 4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one (CID 136997379) is 4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one is [H]/N=C(\c1ccc(NCCNO)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O.
What is the InChIKey of 4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one?
The InChIKey is ZGWFDGFPNUVKGA-PTGBLXJZSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c21-14-2-1-3-15(22)19(14)27-16-8-9-25-20(28)17(16)18(23)12-4-6-13(7-5-12)24-10-11-26-29/h1-9,23-24,26,29H,10-11H2,(H2,25,27,28)/b23-18+.
What are the key properties of 4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one?
4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one has a molecular weight of 399.40 g/mol, XLogP of 3.20, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one is sourced from PubChem (CID 136997379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).