5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide

C21H18F2N2O3 — CID 42441098

IUPAC5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide
SMILESCn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H18F2N2O3/c1-25-12-20(28-13-15-4-8-17(23)9-5-15)19(26)10-18(25)21(27)24-11-14-2-6-16(22)7-3-14/h2-10,12H,11,13H2,1H3,(H,24,27)
InChIKeyHXISDXJITLZGSO-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.17
Rot. Bonds6

About 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide

5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide (PubChem CID 42441098) has the molecular formula C21H18F2N2O3 and a molecular weight of 384.38 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide
PubChem CID42441098
Molecular FormulaC21H18F2N2O3
Molecular Weight384.38 g/mol
Exact Mass384.13
IUPAC Name5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide
SMILESCn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H18F2N2O3/c1-25-12-20(28-13-15-4-8-17(23)9-5-15)19(26)10-18(25)21(27)24-11-14-2-6-16(22)7-3-14/h2-10,12H,11,13H2,1H3,(H,24,27)
InChIKeyHXISDXJITLZGSO-UHFFFAOYSA-N
XLogP3.17
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(benzyloxy)-2-methyl-4(1H)-pyridinone
CID 660782
{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10369681
1-(3-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11155124
1-(4-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11178413
4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)phenethyl)pyridin-2(1H)-one
CID 44469273
{2-Oxo-6-p-tolyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10370141
1-[4-(Benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162666832
AChE/BChE-IN-8
CID 162671445
3-(benzyloxy)-1-(4-fluorobenzyl)-2-methyl-4(1H)-pyridinone
CID 3623031
3-(benzyloxy)-2-methyl-1-(4-methylbenzyl)-4(1H)-pyridinone
CID 3818708
5-(benzyloxy)-1-methyl-4-oxo-N-phenyl-1,4-dihydropyridine-2-carboxamide
CID 6480785
2-(5-(benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 16852591

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide (CID 42441098) is 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide is Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide?
The InChIKey is HXISDXJITLZGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3/c1-25-12-20(28-13-15-4-8-17(23)9-5-15)19(26)10-18(25)21(27)24-11-14-2-6-16(22)7-3-14/h2-10,12H,11,13H2,1H3,(H,24,27).
What are the key properties of 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide?
5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide has a molecular weight of 384.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 42441098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).