N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide

C20H18N6O3 — CID 91893036

IUPACN-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1nnc2c(-c3nc(C4CC4)no3)cccn12
InChIInChI=1S/C20H18N6O3/c1-28-15-7-3-2-5-13(15)19(27)21-11-16-23-24-18-14(6-4-10-26(16)18)20-22-17(25-29-20)12-8-9-12/h2-7,10,12H,8-9,11H2,1H3,(H,21,27)
InChIKeyAPXLGDWPUZJQKU-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.60
Rot. Bonds6

About N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide

N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide (PubChem CID 91893036) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide
PubChem CID91893036
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC NameN-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1nnc2c(-c3nc(C4CC4)no3)cccn12
InChIInChI=1S/C20H18N6O3/c1-28-15-7-3-2-5-13(15)19(27)21-11-16-23-24-18-14(6-4-10-26(16)18)20-22-17(25-29-20)12-8-9-12/h2-7,10,12H,8-9,11H2,1H3,(H,21,27)
InChIKeyAPXLGDWPUZJQKU-UHFFFAOYSA-N
XLogP2.60
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide with MolForge

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Related Compounds

N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methoxy-2-methylbenzamide
CID 91893008
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 91893033
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide
CID 91893026
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylpropanamide
CID 91893007
2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53179360
ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
CID 97032640
N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179368
N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91892949
N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 91631907
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluorobenzamide
CID 91893121
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide
CID 91893156
3,5-dimethyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893142

Frequently Asked Questions

What is the IUPAC name of N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide (CID 91893036) is N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1nnc2c(-c3nc(C4CC4)no3)cccn12.
What is the InChIKey of N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide?
The InChIKey is APXLGDWPUZJQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-28-15-7-3-2-5-13(15)19(27)21-11-16-23-24-18-14(6-4-10-26(16)18)20-22-17(25-29-20)12-8-9-12/h2-7,10,12H,8-9,11H2,1H3,(H,21,27).
What are the key properties of N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide?
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide has a molecular weight of 390.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 91893036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).