N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide

C23H23FN2O3 — CID 7189935

IUPACN-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C23H23FN2O3/c1-2-3-5-17-9-13-20(14-10-17)25-22(27)21-6-4-15-26(23(21)28)29-16-18-7-11-19(24)12-8-18/h4,6-15H,2-3,5,16H2,1H3,(H,25,27)
InChIKeyFKPXLHCKGJKNBX-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.21
Rot. Bonds8

About N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide

N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide (PubChem CID 7189935) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
PubChem CID7189935
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C23H23FN2O3/c1-2-3-5-17-9-13-20(14-10-17)25-22(27)21-6-4-15-26(23(21)28)29-16-18-7-11-19(24)12-8-18/h4,6-15H,2-3,5,16H2,1H3,(H,25,27)
InChIKeyFKPXLHCKGJKNBX-UHFFFAOYSA-N
XLogP4.21
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide (CID 7189935) is N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide is CCCCc1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The InChIKey is FKPXLHCKGJKNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-2-3-5-17-9-13-20(14-10-17)25-22(27)21-6-4-15-26(23(21)28)29-16-18-7-11-19(24)12-8-18/h4,6-15H,2-3,5,16H2,1H3,(H,25,27).
What are the key properties of N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7189935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).