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

C21H17F2N5O2 — CID 137123764

IUPAC4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one
SMILES[H]/N=C(\c1ccc(N2CCNC2=O)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C21H17F2N5O2/c22-14-2-1-3-15(23)19(14)27-16-8-9-25-20(29)17(16)18(24)12-4-6-13(7-5-12)28-11-10-26-21(28)30/h1-9,24H,10-11H2,(H,26,30)(H2,25,27,29)/b24-18+
InChIKeyWSVXOWBXFRZVBB-HKOYGPOVSA-N
MW409.40 g/mol
LogP3.34
Rot. Bonds5

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

4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one (PubChem CID 137123764) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one
PubChem CID137123764
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one
SMILES[H]/N=C(\c1ccc(N2CCNC2=O)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C21H17F2N5O2/c22-14-2-1-3-15(23)19(14)27-16-8-9-25-20(29)17(16)18(24)12-4-6-13(7-5-12)28-11-10-26-21(28)30/h1-9,24H,10-11H2,(H,26,30)(H2,25,27,29)/b24-18+
InChIKeyWSVXOWBXFRZVBB-HKOYGPOVSA-N
XLogP3.34
TPSA101.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.34
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 4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one?
The IUPAC name of 4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one (CID 137123764) is 4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one is [H]/N=C(\c1ccc(N2CCNC2=O)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O.
What is the InChIKey of 4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one?
The InChIKey is WSVXOWBXFRZVBB-HKOYGPOVSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c22-14-2-1-3-15(23)19(14)27-16-8-9-25-20(29)17(16)18(24)12-4-6-13(7-5-12)28-11-10-26-21(28)30/h1-9,24H,10-11H2,(H,26,30)(H2,25,27,29)/b24-18+.
What are the key properties of 4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one?
4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one has a molecular weight of 409.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one is sourced from PubChem (CID 137123764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).