5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide

C18H10ClF7N4O3 — CID 56929372

IUPAC5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C18H10ClF7N4O3/c19-9-1-2-10(12(20)4-9)11-3-8(5-28-15(11)32-7-17(21,22)23)14(31)27-6-13-29-16(30-33-13)18(24,25)26/h1-5H,6-7H2,(H,27,31)
InChIKeyOPONXAIOJQODHV-UHFFFAOYSA-N
MW498.74 g/mol
LogP4.81
Rot. Bonds6

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

5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 56929372) has the molecular formula C18H10ClF7N4O3 and a molecular weight of 498.74 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID56929372
Molecular FormulaC18H10ClF7N4O3
Molecular Weight498.74 g/mol
Exact Mass498.03
IUPAC Name5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C18H10ClF7N4O3/c19-9-1-2-10(12(20)4-9)11-3-8(5-28-15(11)32-7-17(21,22)23)14(31)27-6-13-29-16(30-33-13)18(24,25)26/h1-5H,6-7H2,(H,27,31)
InChIKeyOPONXAIOJQODHV-UHFFFAOYSA-N
XLogP4.81
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.74
LogP ≤ 54.81
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
6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 56929464
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-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739738
[4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl] N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 118249782
5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide
CID 163550473
2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 67971457
4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 56928692
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-chloro-N-(2,6-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55752771
5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56929461
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 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) is 5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide is O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2F)c1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is OPONXAIOJQODHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF7N4O3/c19-9-1-2-10(12(20)4-9)11-3-8(5-28-15(11)32-7-17(21,22)23)14(31)27-6-13-29-16(30-33-13)18(24,25)26/h1-5H,6-7H2,(H,27,31).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 498.74 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56929372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).