1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C20H14F4N2O3 — CID 163405266

IUPAC1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1cc(F)ccc1-n1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C20H14F4N2O3/c1-29-17-11-13(21)6-9-16(17)26-10-2-3-15(19(26)28)18(27)25-14-7-4-12(5-8-14)20(22,23)24/h2-11H,1H3,(H,25,27)
InChIKeyMSNVPZKRMITIQA-UHFFFAOYSA-N
MW406.34 g/mol
LogP4.26
Rot. Bonds4

About 1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 163405266) has the molecular formula C20H14F4N2O3 and a molecular weight of 406.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID163405266
Molecular FormulaC20H14F4N2O3
Molecular Weight406.34 g/mol
Exact Mass406.09
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1cc(F)ccc1-n1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C20H14F4N2O3/c1-29-17-11-13(21)6-9-16(17)26-10-2-3-15(19(26)28)18(27)25-14-7-4-12(5-8-14)20(22,23)24/h2-11H,1H3,(H,25,27)
InChIKeyMSNVPZKRMITIQA-UHFFFAOYSA-N
XLogP4.26
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide
CID 163405143
1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 163405294
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 163405278
N-(1-tert-butylpyrazol-3-yl)-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
CID 163405216
2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 50928836
N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 155595146
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
CID 163405275
4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 141401916
1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 7422772
N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide
CID 11430575
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methoxybenzamide
CID 1188387

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 163405266) is 1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is COc1cc(F)ccc1-n1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is MSNVPZKRMITIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O3/c1-29-17-11-13(21)6-9-16(17)26-10-2-3-15(19(26)28)18(27)25-14-7-4-12(5-8-14)20(22,23)24/h2-11H,1H3,(H,25,27).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 406.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 163405266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).