4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one

C18H14F2N4OS — CID 136997292

IUPAC4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one
SMILES[H]/N=C(\c1ccc(S)cc1)c1c(Nc2c(F)cc(N)cc2F)cc[nH]c1=O
InChIInChI=1S/C18H14F2N4OS/c19-12-7-10(21)8-13(20)17(12)24-14-5-6-23-18(25)15(14)16(22)9-1-3-11(26)4-2-9/h1-8,22,26H,21H2,(H2,23,24,25)/b22-16+
InChIKeyCKSDHKMQENNRGR-CJLVFECKSA-N
MW372.40 g/mol
LogP3.68
Rot. Bonds4

About 4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one

4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one (PubChem CID 136997292) has the molecular formula C18H14F2N4OS and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one
PubChem CID136997292
Molecular FormulaC18H14F2N4OS
Molecular Weight372.40 g/mol
Exact Mass372.09
IUPAC Name4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one
SMILES[H]/N=C(\c1ccc(S)cc1)c1c(Nc2c(F)cc(N)cc2F)cc[nH]c1=O
InChIInChI=1S/C18H14F2N4OS/c19-12-7-10(21)8-13(20)17(12)24-14-5-6-23-18(25)15(14)16(22)9-1-3-11(26)4-2-9/h1-8,22,26H,21H2,(H2,23,24,25)/b22-16+
InChIKeyCKSDHKMQENNRGR-CJLVFECKSA-N
XLogP3.68
TPSA94.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide
CID 136997286
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-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one
CID 136997340
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
3-(4-sulfanylbenzenecarboximidoyl)-4-[2-(trifluoromethyl)anilino]-1H-pyridin-2-one
CID 136997374
4-(2,6-difluoroanilino)-3-[4-[2-(hydroxyamino)ethylamino]benzenecarboximidoyl]-1H-pyridin-2-one
CID 136997379
4-[(2,6-difluorocyclohexa-1,5-dien-3-yn-1-yl)amino]-3-(4-methylbenzenecarboximidoyl)-1H-pyridin-2-one
CID 136997381

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one (CID 136997292) is 4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one is [H]/N=C(\c1ccc(S)cc1)c1c(Nc2c(F)cc(N)cc2F)cc[nH]c1=O.
What is the InChIKey of 4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one?
The InChIKey is CKSDHKMQENNRGR-CJLVFECKSA-N. The full InChI is InChI=1S/C18H14F2N4OS/c19-12-7-10(21)8-13(20)17(12)24-14-5-6-23-18(25)15(14)16(22)9-1-3-11(26)4-2-9/h1-8,22,26H,21H2,(H2,23,24,25)/b22-16+.
What are the key properties of 4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one?
4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one has a molecular weight of 372.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,6-difluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one is sourced from PubChem (CID 136997292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).