2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane

C21H19F3N4O2 — CID 159595863

IUPAC2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane
SMILESC.[H]/N=C(\c1cc(CC(N)=O)ccc1F)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C20H15F3N4O2.CH4/c21-12-5-4-10(9-16(24)28)8-11(12)18(25)17-15(6-7-26-20(17)29)27-19-13(22)2-1-3-14(19)23;/h1-8,25H,9H2,(H2,24,28)(H2,26,27,29);1H4/b25-18+;
InChIKeyMKVGMMHTZBVHKC-LHSXHHQOSA-N
MW416.40 g/mol
LogP3.62
Rot. Bonds6

About 2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane

2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane (PubChem CID 159595863) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane.

Molecular Properties

Compound Name2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane
PubChem CID159595863
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane
SMILESC.[H]/N=C(\c1cc(CC(N)=O)ccc1F)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C20H15F3N4O2.CH4/c21-12-5-4-10(9-16(24)28)8-11(12)18(25)17-15(6-7-26-20(17)29)27-19-13(22)2-1-3-14(19)23;/h1-8,25H,9H2,(H2,24,28)(H2,26,27,29);1H4/b25-18+;
InChIKeyMKVGMMHTZBVHKC-LHSXHHQOSA-N
XLogP3.62
TPSA111.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide
CID 136997310
4-(2,6-difluoroanilino)-3-(1H-pyrazole-4-carboximidoyl)-1H-pyridin-2-one
CID 137160747
4-(2,6-difluoroanilino)-3-[4-(2-oxoimidazolidin-1-yl)benzenecarboximidoyl]-1H-pyridin-2-one
CID 137123764
3-[5-chloro-4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-5-fluorobenzamide
CID 137123778
4-[5-chloro-4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
CID 136997332
4-[4-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide;methane
CID 158710777
4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane
CID 158692295
4-[5-bromo-4-(2-fluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
CID 136997333
4-[5-chloro-4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(cyanomethyl)thiophene-2-carboxamide
CID 137123738
N-[4-(2-amino-2-oxoethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 75414588
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
CID 68721183
4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide
CID 142174628

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane?
The IUPAC name of 2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane (CID 159595863) is 2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane.
What is the SMILES notation for 2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane?
The canonical SMILES for 2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane is C.[H]/N=C(\c1cc(CC(N)=O)ccc1F)c1c(Nc2c(F)cccc2F)cc[nH]c1=O.
What is the InChIKey of 2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane?
The InChIKey is MKVGMMHTZBVHKC-LHSXHHQOSA-N. The full InChI is InChI=1S/C20H15F3N4O2.CH4/c21-12-5-4-10(9-16(24)28)8-11(12)18(25)17-15(6-7-26-20(17)29)27-19-13(22)2-1-3-14(19)23;/h1-8,25H,9H2,(H2,24,28)(H2,26,27,29);1H4/b25-18+;.
What are the key properties of 2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane?
2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane has a molecular weight of 416.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane is sourced from PubChem (CID 159595863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).