N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide

C20H28F3N5O — CID 78842681

IUPACN-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C20H28F3N5O/c1-5-19(3,4)24-18(29)13(2)27-10-6-7-14(11-27)17-26-25-16-9-8-15(12-28(16)17)20(21,22)23/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,24,29)
InChIKeyJRCCGCNMLFXTEX-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.62
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide

N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide (PubChem CID 78842681) has the molecular formula C20H28F3N5O and a molecular weight of 411.47 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
PubChem CID78842681
Molecular FormulaC20H28F3N5O
Molecular Weight411.47 g/mol
Exact Mass411.22
IUPAC NameN-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C20H28F3N5O/c1-5-19(3,4)24-18(29)13(2)27-10-6-7-14(11-27)17-26-25-16-9-8-15(12-28(16)17)20(21,22)23/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,24,29)
InChIKeyJRCCGCNMLFXTEX-UHFFFAOYSA-N
XLogP3.62
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide (CID 78842681) is N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide is CCC(C)(C)NC(=O)C(C)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
The InChIKey is JRCCGCNMLFXTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N5O/c1-5-19(3,4)24-18(29)13(2)27-10-6-7-14(11-27)17-26-25-16-9-8-15(12-28(16)17)20(21,22)23/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,24,29).
What are the key properties of N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide has a molecular weight of 411.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 78842681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).