4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one

C18H14FN3OS — CID 136997340

IUPAC4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one
SMILES[H]/N=C(\c1ccc(S)cc1)c1c(Nc2ccccc2F)cc[nH]c1=O
InChIInChI=1S/C18H14FN3OS/c19-13-3-1-2-4-14(13)22-15-9-10-21-18(23)16(15)17(20)11-5-7-12(24)8-6-11/h1-10,20,24H,(H2,21,22,23)/b20-17+
InChIKeyYQADUBXLIDCETK-LVZFUZTISA-N
MW339.40 g/mol
LogP3.96
Rot. Bonds4

About 4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one

4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one (PubChem CID 136997340) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one
PubChem CID136997340
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one
SMILES[H]/N=C(\c1ccc(S)cc1)c1c(Nc2ccccc2F)cc[nH]c1=O
InChIInChI=1S/C18H14FN3OS/c19-13-3-1-2-4-14(13)22-15-9-10-21-18(23)16(15)17(20)11-5-7-12(24)8-6-11/h1-10,20,24H,(H2,21,22,23)/b20-17+
InChIKeyYQADUBXLIDCETK-LVZFUZTISA-N
XLogP3.96
TPSA68.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-anilino-3-(4-fluorophenyl)-1H-pyridin-2-one
CID 156210825
5-anilino-3-(2,4-difluorophenyl)-1H-pyridin-2-one
CID 156717159
2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetonitrile
CID 136949869
2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide
CID 136949877
2-[4-[5-chloro-4-(2-fluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetonitrile
CID 136950008
3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide
CID 136997286
4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one
CID 136997292
4-(2,6-difluoroanilino)-3-[3-(pyrrolidin-1-ylmethyl)benzenecarboximidoyl]-1H-pyridin-2-one
CID 136997296
4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide
CID 136997310
4-(2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one
CID 136997345
3-[3-(aminomethyl)benzenecarboximidoyl]-4-(2,6-difluoroanilino)-1H-pyridin-2-one
CID 136997349
4-(2,6-difluoroanilino)-3-[4-(2-oxopyrrolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one
CID 136997351

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one (CID 136997340) is 4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one is [H]/N=C(\c1ccc(S)cc1)c1c(Nc2ccccc2F)cc[nH]c1=O.
What is the InChIKey of 4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one?
The InChIKey is YQADUBXLIDCETK-LVZFUZTISA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-13-3-1-2-4-14(13)22-15-9-10-21-18(23)16(15)17(20)11-5-7-12(24)8-6-11/h1-10,20,24H,(H2,21,22,23)/b20-17+.
What are the key properties of 4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one?
4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one has a molecular weight of 339.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one is sourced from PubChem (CID 136997340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).