N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide

C19H13FN2O4 — CID 66497687

IUPACN-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C19H13FN2O4/c20-12-3-1-11(2-4-12)15-7-6-14(19(24)22-15)18(23)21-13-5-8-16-17(9-13)26-10-25-16/h1-9H,10H2,(H,21,23)(H,22,24)
InChIKeyATQRMGWVDWQGAU-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.16
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 66497687) has the molecular formula C19H13FN2O4 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID66497687
Molecular FormulaC19H13FN2O4
Molecular Weight352.32 g/mol
Exact Mass352.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C19H13FN2O4/c20-12-3-1-11(2-4-12)15-7-6-14(19(24)22-15)18(23)21-13-5-8-16-17(9-13)26-10-25-16/h1-9H,10H2,(H,21,23)(H,22,24)
InChIKeyATQRMGWVDWQGAU-UHFFFAOYSA-N
XLogP3.16
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392752
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 27648507
N-(3,4-difluorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497927
N-(1,3-benzodioxol-5-yl)-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78903901
1-(1,3-benzodioxol-5-yl)-3-(4-fluoroanilino)urea
CID 10589488
N-(3,4-dimethylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497549
N-(1,3-benzodioxol-5-yl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128499
N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66498018
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 27736341
N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2336815
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-difluorobenzamide
CID 30501354

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 66497687) is N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ATQRMGWVDWQGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O4/c20-12-3-1-11(2-4-12)15-7-6-14(19(24)22-15)18(23)21-13-5-8-16-17(9-13)26-10-25-16/h1-9H,10H2,(H,21,23)(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66497687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).