6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide

C19H15FN2O2 — CID 54671478

IUPAC6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
SMILESNC(=O)c1cn(-c2ccc(F)cc2)c(Cc2ccccc2)cc1=O
InChIInChI=1S/C19H15FN2O2/c20-14-6-8-15(9-7-14)22-12-17(19(21)24)18(23)11-16(22)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,21,24)
InChIKeyTWNGKZFQXRPPSG-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.67
Rot. Bonds4

About 6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide

6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide (PubChem CID 54671478) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
PubChem CID54671478
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
SMILESNC(=O)c1cn(-c2ccc(F)cc2)c(Cc2ccccc2)cc1=O
InChIInChI=1S/C19H15FN2O2/c20-14-6-8-15(9-7-14)22-12-17(19(21)24)18(23)11-16(22)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,21,24)
InChIKeyTWNGKZFQXRPPSG-UHFFFAOYSA-N
XLogP2.67
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of 6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide (CID 54671478) is 6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for 6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide is NC(=O)c1cn(-c2ccc(F)cc2)c(Cc2ccccc2)cc1=O.
What is the InChIKey of 6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
The InChIKey is TWNGKZFQXRPPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-14-6-8-15(9-7-14)22-12-17(19(21)24)18(23)11-16(22)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,21,24).
What are the key properties of 6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 54671478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).