(3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

C19H20FN5O — CID 95114585

IUPAC(3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1F)[C@H]1CCCN(c2nnc3ccccn23)C1
InChIInChI=1S/C19H20FN5O/c20-16-8-2-1-6-14(16)12-21-18(26)15-7-5-10-24(13-15)19-23-22-17-9-3-4-11-25(17)19/h1-4,6,8-9,11,15H,5,7,10,12-13H2,(H,21,26)/t15-/m0/s1
InChIKeyHMAURFVZWHFFDP-HNNXBMFYSA-N
MW353.40 g/mol
LogP2.40
Rot. Bonds4

About (3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

(3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 95114585) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is (3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
PubChem CID95114585
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name(3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1F)[C@H]1CCCN(c2nnc3ccccn23)C1
InChIInChI=1S/C19H20FN5O/c20-16-8-2-1-6-14(16)12-21-18(26)15-7-5-10-24(13-15)19-23-22-17-9-3-4-11-25(17)19/h1-4,6,8-9,11,15H,5,7,10,12-13H2,(H,21,26)/t15-/m0/s1
InChIKeyHMAURFVZWHFFDP-HNNXBMFYSA-N
XLogP2.40
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53203178
(3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114823
(3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114598
(3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95115025
(3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 95115170
N-(3-ethylphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203140
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114546
N-[(2-fluorophenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56764965
N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 46392375
N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071493
N-(cyclohexylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203059
N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203022

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (CID 95114585) is (3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is O=C(NCc1ccccc1F)[C@H]1CCCN(c2nnc3ccccn23)C1.
What is the InChIKey of (3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is HMAURFVZWHFFDP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-16-8-2-1-6-14(16)12-21-18(26)15-7-5-10-24(13-15)19-23-22-17-9-3-4-11-25(17)19/h1-4,6,8-9,11,15H,5,7,10,12-13H2,(H,21,26)/t15-/m0/s1.
What are the key properties of (3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
(3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95114585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).