N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide

C24H20FN3O4 — CID 71838320

IUPACN-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c23)cc1
InChIInChI=1S/C24H20FN3O4/c1-14-21(23(30)27-19-9-7-18(8-10-19)26-15(2)29)22-20(32-14)11-12-28(24(22)31)13-16-3-5-17(25)6-4-16/h3-12H,13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyQAYUHTWKXLNIQU-UHFFFAOYSA-N
MW433.44 g/mol
LogP4.30
Rot. Bonds5

About N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide

N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 71838320) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide
PubChem CID71838320
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC NameN-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c23)cc1
InChIInChI=1S/C24H20FN3O4/c1-14-21(23(30)27-19-9-7-18(8-10-19)26-15(2)29)22-20(32-14)11-12-28(24(22)31)13-16-3-5-17(25)6-4-16/h3-12H,13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyQAYUHTWKXLNIQU-UHFFFAOYSA-N
XLogP4.30
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide (CID 71838320) is N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c23)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide?
The InChIKey is QAYUHTWKXLNIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-14-21(23(30)27-19-9-7-18(8-10-19)26-15(2)29)22-20(32-14)11-12-28(24(22)31)13-16-3-5-17(25)6-4-16/h3-12H,13H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide?
N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 71838320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).