1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide

C21H21N7O2 — CID 91893356

IUPAC1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1
InChIInChI=1S/C21H21N7O2/c22-19(29)14-6-9-27(10-7-14)13-18-25-24-17-12-16(8-11-28(17)18)21-23-20(26-30-21)15-4-2-1-3-5-15/h1-5,8,11-12,14H,6-7,9-10,13H2,(H2,22,29)
InChIKeyCMCRQQJZPGBYSM-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.14
Rot. Bonds5

About 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide

1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 91893356) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide
PubChem CID91893356
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1
InChIInChI=1S/C21H21N7O2/c22-19(29)14-6-9-27(10-7-14)13-18-25-24-17-12-16(8-11-28(17)18)21-23-20(26-30-21)15-4-2-1-3-5-15/h1-5,8,11-12,14H,6-7,9-10,13H2,(H2,22,29)
InChIKeyCMCRQQJZPGBYSM-UHFFFAOYSA-N
XLogP2.14
TPSA115.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate
CID 91893364
N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide
CID 91893309
N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclobutanecarboxamide
CID 91893260
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 957363
3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893325
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032406
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 91817927
(2S)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide
CID 99756549
2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 66485077
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 91631873
2-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91817928
N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115240

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide (CID 91893356) is 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1.
What is the InChIKey of 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is CMCRQQJZPGBYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c22-19(29)14-6-9-27(10-7-14)13-18-25-24-17-12-16(8-11-28(17)18)21-23-20(26-30-21)15-4-2-1-3-5-15/h1-5,8,11-12,14H,6-7,9-10,13H2,(H2,22,29).
What are the key properties of 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide?
1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 91893356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).