5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide

C24H26FN3O4 — CID 45169942

IUPAC5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NC(C)c2ccc(F)cc2)c1=O
InChIInChI=1S/C24H26FN3O4/c1-3-4-11-26-23(30)20-14-28(13-19-6-5-12-32-19)15-21(22(20)29)24(31)27-16(2)17-7-9-18(25)10-8-17/h5-10,12,14-16H,3-4,11,13H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyVJWOCSPWNLYIDO-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.65
Rot. Bonds9

About 5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide

5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 45169942) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is 5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID45169942
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC Name5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NC(C)c2ccc(F)cc2)c1=O
InChIInChI=1S/C24H26FN3O4/c1-3-4-11-26-23(30)20-14-28(13-19-6-5-12-32-19)15-21(22(20)29)24(31)27-16(2)17-7-9-18(25)10-8-17/h5-10,12,14-16H,3-4,11,13H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyVJWOCSPWNLYIDO-UHFFFAOYSA-N
XLogP3.65
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide (CID 45169942) is 5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide is CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NC(C)c2ccc(F)cc2)c1=O.
What is the InChIKey of 5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is VJWOCSPWNLYIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-3-4-11-26-23(30)20-14-28(13-19-6-5-12-32-19)15-21(22(20)29)24(31)27-16(2)17-7-9-18(25)10-8-17/h5-10,12,14-16H,3-4,11,13H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide?
5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 439.49 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 45169942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).