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

C22H24F3N5O — CID 78829944

IUPACN-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
SMILESCC(C(=O)N(C)c1ccccc1)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C22H24F3N5O/c1-15(21(31)28(2)18-8-4-3-5-9-18)29-12-6-7-16(13-29)20-27-26-19-11-10-17(14-30(19)20)22(23,24)25/h3-5,8-11,14-16H,6-7,12-13H2,1-2H3
InChIKeyJQHOLWQHNWYPGM-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.98
Rot. Bonds4

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

N-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide (PubChem CID 78829944) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
PubChem CID78829944
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC NameN-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
SMILESCC(C(=O)N(C)c1ccccc1)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C22H24F3N5O/c1-15(21(31)28(2)18-8-4-3-5-9-18)29-12-6-7-16(13-29)20-27-26-19-11-10-17(14-30(19)20)22(23,24)25/h3-5,8-11,14-16H,6-7,12-13H2,1-2H3
InChIKeyJQHOLWQHNWYPGM-UHFFFAOYSA-N
XLogP3.98
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
The IUPAC name of N-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide (CID 78829944) is N-methyl-N-phenyl-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-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide is CC(C(=O)N(C)c1ccccc1)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1.
What is the InChIKey of N-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
The InChIKey is JQHOLWQHNWYPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O/c1-15(21(31)28(2)18-8-4-3-5-9-18)29-12-6-7-16(13-29)20-27-26-19-11-10-17(14-30(19)20)22(23,24)25/h3-5,8-11,14-16H,6-7,12-13H2,1-2H3.
What are the key properties of N-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
N-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide has a molecular weight of 431.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 78829944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).