4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide

C19H14F2N4O2 — CID 136997310

IUPAC4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide
SMILES[H]/N=C(\c1ccc(C(N)=O)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C19H14F2N4O2/c20-12-2-1-3-13(21)17(12)25-14-8-9-24-19(27)15(14)16(22)10-4-6-11(7-5-10)18(23)26/h1-9,22H,(H2,23,26)(H2,24,25,27)/b22-16+
InChIKeyPWJQGXXEKDQPQB-CJLVFECKSA-N
MW368.34 g/mol
LogP2.91
Rot. Bonds5

About 4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide

4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide (PubChem CID 136997310) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is 4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide.

Molecular Properties

Compound Name4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide
PubChem CID136997310
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide
SMILES[H]/N=C(\c1ccc(C(N)=O)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C19H14F2N4O2/c20-12-2-1-3-13(21)17(12)25-14-8-9-24-19(27)15(14)16(22)10-4-6-11(7-5-10)18(23)26/h1-9,22H,(H2,23,26)(H2,24,25,27)/b22-16+
InChIKeyPWJQGXXEKDQPQB-CJLVFECKSA-N
XLogP2.91
TPSA111.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.91
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-(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
2-[3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-4-fluorophenyl]acetamide;methane
CID 159595863
azane;4-(2-fluoroanilino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one;dihydrate
CID 162338691
3-[5-chloro-4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]-5-fluorobenzamide
CID 137123778
4-anilino-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one;azane;dihydrate
CID 162327879
4-[5-chloro-4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
CID 136997332
4-[5-bromo-4-(2-fluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
CID 136997333
2-[4-[5-chloro-4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]-2-methylpropanenitrile
CID 137123735
[4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite
CID 136997319
4-[4-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide;methane
CID 158710777
azane;4-(oxan-4-ylamino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one;dihydrate
CID 162307433

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide?
The IUPAC name of 4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide (CID 136997310) is 4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide.
What is the SMILES notation for 4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide?
The canonical SMILES for 4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide is [H]/N=C(\c1ccc(C(N)=O)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O.
What is the InChIKey of 4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide?
The InChIKey is PWJQGXXEKDQPQB-CJLVFECKSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c20-12-2-1-3-13(21)17(12)25-14-8-9-24-19(27)15(14)16(22)10-4-6-11(7-5-10)18(23)26/h1-9,22H,(H2,23,26)(H2,24,25,27)/b22-16+.
What are the key properties of 4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide?
4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide has a molecular weight of 368.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide is sourced from PubChem (CID 136997310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).