(3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

C20H21F3N6O — CID 95115191

IUPAC(3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccncc1)[C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C20H21F3N6O/c21-20(22,23)16-3-4-17-26-27-19(29(17)13-16)28-11-1-2-15(12-28)18(30)25-10-7-14-5-8-24-9-6-14/h3-6,8-9,13,15H,1-2,7,10-12H2,(H,25,30)/t15-/m1/s1
InChIKeyAYSNBFDUDJAVKI-OAHLLOKOSA-N
MW418.42 g/mol
LogP2.72
Rot. Bonds5

About (3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

(3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide (PubChem CID 95115191) has the molecular formula C20H21F3N6O and a molecular weight of 418.42 g/mol. Its IUPAC name is (3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
PubChem CID95115191
Molecular FormulaC20H21F3N6O
Molecular Weight418.42 g/mol
Exact Mass418.17
IUPAC Name(3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccncc1)[C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C20H21F3N6O/c21-20(22,23)16-3-4-17-26-27-19(29(17)13-16)28-11-1-2-15(12-28)18(30)25-10-7-14-5-8-24-9-6-14/h3-6,8-9,13,15H,1-2,7,10-12H2,(H,25,30)/t15-/m1/s1
InChIKeyAYSNBFDUDJAVKI-OAHLLOKOSA-N
XLogP2.72
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 97416526
N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 53202994
(3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 95114708
pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone
CID 95115197
(3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 95115170
N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203332
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95115108
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
CID 53202982
(3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114598
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 53203104
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53203178
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide (CID 95115191) is (3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide is O=C(NCCc1ccncc1)[C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1.
What is the InChIKey of (3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?
The InChIKey is AYSNBFDUDJAVKI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21F3N6O/c21-20(22,23)16-3-4-17-26-27-19(29(17)13-16)28-11-1-2-15(12-28)18(30)25-10-7-14-5-8-24-9-6-14/h3-6,8-9,13,15H,1-2,7,10-12H2,(H,25,30)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?
(3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95115191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).