1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide

C21H21FN4O4 — CID 172659304

IUPAC1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NCCc1noc(C2CCCO2)n1
InChIInChI=1S/C21H21FN4O4/c1-13-9-11-26(15-6-4-14(22)5-7-15)21(28)18(13)19(27)23-10-8-17-24-20(30-25-17)16-3-2-12-29-16/h4-7,9,11,16H,2-3,8,10,12H2,1H3,(H,23,27)
InChIKeyJLEVMIBEYKAIMS-UHFFFAOYSA-N
MW412.42 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide

1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide (PubChem CID 172659304) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
PubChem CID172659304
Molecular FormulaC21H21FN4O4
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NCCc1noc(C2CCCO2)n1
InChIInChI=1S/C21H21FN4O4/c1-13-9-11-26(15-6-4-14(22)5-7-15)21(28)18(13)19(27)23-10-8-17-24-20(30-25-17)16-3-2-12-29-16/h4-7,9,11,16H,2-3,8,10,12H2,1H3,(H,23,27)
InChIKeyJLEVMIBEYKAIMS-UHFFFAOYSA-N
XLogP2.49
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172665894
4-morpholin-4-yl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 124853323
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172660412
3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide
CID 86284289
3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 70772071
3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-imidazole-5-carboxamide
CID 90648078
1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide
CID 172658534
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99936714
4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 126434875
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99936713
1-(4-fluorophenyl)-4-methyl-N-(2-morpholin-3-ylethyl)-2-oxopyridine-3-carboxamide
CID 172672595

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide (CID 172659304) is 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide is Cc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NCCc1noc(C2CCCO2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is JLEVMIBEYKAIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4/c1-13-9-11-26(15-6-4-14(22)5-7-15)21(28)18(13)19(27)23-10-8-17-24-20(30-25-17)16-3-2-12-29-16/h4-7,9,11,16H,2-3,8,10,12H2,1H3,(H,23,27).
What are the key properties of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide?
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 172659304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).