3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C18H22F3N5O3 — CID 142794285

IUPAC3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)(C)C(c1noc(N)n1)c1c(C(N)=O)ncc(C2CC2)c1OCC(F)(F)F
InChIInChI=1S/C18H22F3N5O3/c1-17(2,3)11(15-25-16(23)29-26-15)10-12(14(22)27)24-6-9(8-4-5-8)13(10)28-7-18(19,20)21/h6,8,11H,4-5,7H2,1-3H3,(H2,22,27)(H2,23,25,26)
InChIKeyHJXXIOFBJPOCEJ-UHFFFAOYSA-N
MW413.40 g/mol
LogP3.14
Rot. Bonds6

About 3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 142794285) has the molecular formula C18H22F3N5O3 and a molecular weight of 413.40 g/mol. Its IUPAC name is 3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID142794285
Molecular FormulaC18H22F3N5O3
Molecular Weight413.40 g/mol
Exact Mass413.17
IUPAC Name3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)(C)C(c1noc(N)n1)c1c(C(N)=O)ncc(C2CC2)c1OCC(F)(F)F
InChIInChI=1S/C18H22F3N5O3/c1-17(2,3)11(15-25-16(23)29-26-15)10-12(14(22)27)24-6-9(8-4-5-8)13(10)28-7-18(19,20)21/h6,8,11H,4-5,7H2,1-3H3,(H2,22,27)(H2,23,25,26)
InChIKeyHJXXIOFBJPOCEJ-UHFFFAOYSA-N
XLogP3.14
TPSA130.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 142794307
5-cyclobutyl-3-[(2R)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 142794309
3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide
CID 142794290
5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine
CID 158536635
N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90204122
N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 141483720
3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 86647335
N-[(2S)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90205070
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90214915
5-cyclopropyl-N-[(1R)-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 118539973
methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate
CID 169292722
1-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4-(3,3-difluoroazetidin-1-yl)-3-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one
CID 146793385

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 142794285) is 3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is CC(C)(C)C(c1noc(N)n1)c1c(C(N)=O)ncc(C2CC2)c1OCC(F)(F)F.
What is the InChIKey of 3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is HJXXIOFBJPOCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O3/c1-17(2,3)11(15-25-16(23)29-26-15)10-12(14(22)27)24-6-9(8-4-5-8)13(10)28-7-18(19,20)21/h6,8,11H,4-5,7H2,1-3H3,(H2,22,27)(H2,23,25,26).
What are the key properties of 3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 413.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 142794285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).