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

C23H26F3N5O — CID 78827592

IUPACN-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C23H26F3N5O/c1-16(22(32)29(2)13-17-7-4-3-5-8-17)30-12-6-9-18(14-30)21-28-27-20-11-10-19(15-31(20)21)23(24,25)26/h3-5,7-8,10-11,15-16,18H,6,9,12-14H2,1-2H3
InChIKeyBQUKTXPAIXEGDK-UHFFFAOYSA-N
MW445.49 g/mol
LogP3.97
Rot. Bonds5

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

N-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide (PubChem CID 78827592) has the molecular formula C23H26F3N5O and a molecular weight of 445.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
PubChem CID78827592
Molecular FormulaC23H26F3N5O
Molecular Weight445.49 g/mol
Exact Mass445.21
IUPAC NameN-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C23H26F3N5O/c1-16(22(32)29(2)13-17-7-4-3-5-8-17)30-12-6-9-18(14-30)21-28-27-20-11-10-19(15-31(20)21)23(24,25)26/h3-5,7-8,10-11,15-16,18H,6,9,12-14H2,1-2H3
InChIKeyBQUKTXPAIXEGDK-UHFFFAOYSA-N
XLogP3.97
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
The IUPAC name of N-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide (CID 78827592) is N-benzyl-N-methyl-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-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide is CC(C(=O)N(C)Cc1ccccc1)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1.
What is the InChIKey of N-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
The InChIKey is BQUKTXPAIXEGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O/c1-16(22(32)29(2)13-17-7-4-3-5-8-17)30-12-6-9-18(14-30)21-28-27-20-11-10-19(15-31(20)21)23(24,25)26/h3-5,7-8,10-11,15-16,18H,6,9,12-14H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
N-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide has a molecular weight of 445.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 78827592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).