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

C20H20N6O3 — CID 175667239

IUPAC2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2nnc3c(-c4nc(C)no4)cccn23)cc1
InChIInChI=1S/C20H20N6O3/c1-3-28-15-8-6-14(7-9-15)11-18(27)21-12-17-23-24-19-16(5-4-10-26(17)19)20-22-13(2)25-29-20/h4-10H,3,11-12H2,1-2H3,(H,21,27)
InChIKeyFYGAJWHOEGNBLH-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.35
Rot. Bonds7

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

2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (PubChem CID 175667239) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
PubChem CID175667239
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2nnc3c(-c4nc(C)no4)cccn23)cc1
InChIInChI=1S/C20H20N6O3/c1-3-28-15-8-6-14(7-9-15)11-18(27)21-12-17-23-24-19-16(5-4-10-26(17)19)20-22-13(2)25-29-20/h4-10H,3,11-12H2,1-2H3,(H,21,27)
InChIKeyFYGAJWHOEGNBLH-UHFFFAOYSA-N
XLogP2.35
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 91631915
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
3-(3-methoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
CID 91817987
N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 91631907
3,4-dichloro-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91817976
2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide
CID 171146354
3-(2-chlorophenyl)-5-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide
CID 91817962
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-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
CID 91909329
N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
CID 91893057
4-chloro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893005
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (CID 175667239) is 2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is CCOc1ccc(CC(=O)NCc2nnc3c(-c4nc(C)no4)cccn23)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is FYGAJWHOEGNBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-3-28-15-8-6-14(7-9-15)11-18(27)21-12-17-23-24-19-16(5-4-10-26(17)19)20-22-13(2)25-29-20/h4-10H,3,11-12H2,1-2H3,(H,21,27).
What are the key properties of 2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 392.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 175667239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).