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

C24H23F2N3O2 — CID 136997307

IUPAC4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one
SMILES[H]/N=C(\c1cccc(CC(=O)C(C)CC)c1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C24H23F2N3O2/c1-3-14(2)20(30)13-15-6-4-7-16(12-15)22(27)21-19(10-11-28-24(21)31)29-23-17(25)8-5-9-18(23)26/h4-12,14,27H,3,13H2,1-2H3,(H2,28,29,31)/b27-22+
InChIKeyDCDSLELZMGZOIM-HPNDGRJYSA-N
MW423.46 g/mol
LogP4.97
Rot. Bonds8

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

4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one (PubChem CID 136997307) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is 4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one
PubChem CID136997307
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC Name4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one
SMILES[H]/N=C(\c1cccc(CC(=O)C(C)CC)c1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C24H23F2N3O2/c1-3-14(2)20(30)13-15-6-4-7-16(12-15)22(27)21-19(10-11-28-24(21)31)29-23-17(25)8-5-9-18(23)26/h4-12,14,27H,3,13H2,1-2H3,(H2,28,29,31)/b27-22+
InChIKeyDCDSLELZMGZOIM-HPNDGRJYSA-N
XLogP4.97
TPSA85.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-anilino-3-(4-fluorophenyl)-1H-pyridin-2-one
CID 156210825
3-(3-acetylphenyl)-5-anilino-1H-pyridin-2-one
CID 156717148
5-anilino-3-(2,4-difluorophenyl)-1H-pyridin-2-one
CID 156717159
2-(3-methylphenyl)-N-(6-oxo-1-phenyl-3-pyridinyl)acetamide
CID 168281120
2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide
CID 3491028
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 17538268
N-[[2,6-difluoro-4-(3-oxocyclohexen-1-yl)phenyl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 172441460
N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697276
N-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697278
3-[1-(3-acetylbenzyl)-3-piperidinyl]-N-(2-fluorophenyl)propanamide
CID 45167569
5-Acetyl-2-(cyclopropylmethyl)-4-(3,5-difluoroanilino)-6-phenylpyridazin-3-one
CID 9886970
5-Acetyl-2-(cyclopropylmethyl)-4-(3-fluoroanilino)-6-phenylpyridazin-3-one
CID 10045128

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one?
The IUPAC name of 4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one (CID 136997307) is 4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one is [H]/N=C(\c1cccc(CC(=O)C(C)CC)c1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O.
What is the InChIKey of 4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one?
The InChIKey is DCDSLELZMGZOIM-HPNDGRJYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-3-14(2)20(30)13-15-6-4-7-16(12-15)22(27)21-19(10-11-28-24(21)31)29-23-17(25)8-5-9-18(23)26/h4-12,14,27H,3,13H2,1-2H3,(H2,28,29,31)/b27-22+.
What are the key properties of 4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one?
4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one has a molecular weight of 423.46 g/mol, XLogP of 4.97, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoroanilino)-3-[3-(3-methyl-2-oxopentyl)benzenecarboximidoyl]-1H-pyridin-2-one is sourced from PubChem (CID 136997307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).