6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide

C20H15F5N4O3 — CID 56929464

IUPAC6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)no1)c1cnc(OC2CCC2)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H15F5N4O3/c21-14-5-4-10(7-15(14)22)13-6-11(8-27-18(13)31-12-2-1-3-12)17(30)26-9-16-28-19(29-32-16)20(23,24)25/h4-8,12H,1-3,9H2,(H,26,30)
InChIKeyLSUXUMBGZVCTKH-UHFFFAOYSA-N
MW454.36 g/mol
LogP4.29
Rot. Bonds6

About 6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide

6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 56929464) has the molecular formula C20H15F5N4O3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID56929464
Molecular FormulaC20H15F5N4O3
Molecular Weight454.36 g/mol
Exact Mass454.11
IUPAC Name6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)no1)c1cnc(OC2CCC2)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H15F5N4O3/c21-14-5-4-10(7-15(14)22)13-6-11(8-27-18(13)31-12-2-1-3-12)17(30)26-9-16-28-19(29-32-16)20(23,24)25/h4-8,12H,1-3,9H2,(H,26,30)
InChIKeyLSUXUMBGZVCTKH-UHFFFAOYSA-N
XLogP4.29
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-difluorophenyl)-6-(2-methoxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 56929560
5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 66687182
5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 56929372
5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid
CID 66678618
5-(4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 70890699
6-[(3S)-1-chloropyrrolidin-3-yl]oxy-N-[6-[(3S)-1-chloropyrrolidin-3-yl]oxy-5-(4-fluorophenyl)-3-pyridinyl]-5-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 122634510
5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 56928594
5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
CID 66687293
[3-(3,4-difluorophenyl)-5-[[5-(4-fluorophenyl)-6-pyrrolidin-3-yloxy-3-pyridinyl]carbamoyl]-2-pyridinyl] hypofluorite;pyrrolidine
CID 145171143
4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 159153975
5-(3,4-difluorophenyl)-6-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylic acid
CID 122634516
6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid
CID 134391742

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide (CID 56929464) is 6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide is O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OC2CCC2)c(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is LSUXUMBGZVCTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N4O3/c21-14-5-4-10(7-15(14)22)13-6-11(8-27-18(13)31-12-2-1-3-12)17(30)26-9-16-28-19(29-32-16)20(23,24)25/h4-8,12H,1-3,9H2,(H,26,30).
What are the key properties of 6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 454.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56929464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).