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

C19H17ClN6O3 — CID 91631915

IUPAC2-(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
SMILESCOc1ccc(CC(=O)NCc2nnc3c(-c4nc(C)no4)cccn23)cc1Cl
InChIInChI=1S/C19H17ClN6O3/c1-11-22-19(29-25-11)13-4-3-7-26-16(23-24-18(13)26)10-21-17(27)9-12-5-6-15(28-2)14(20)8-12/h3-8H,9-10H2,1-2H3,(H,21,27)
InChIKeyMUWXOYMJEVDNIN-UHFFFAOYSA-N
MW412.84 g/mol
LogP2.61
Rot. Bonds6

About 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

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 (PubChem CID 91631915) has the molecular formula C19H17ClN6O3 and a molecular weight of 412.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID91631915
Molecular FormulaC19H17ClN6O3
Molecular Weight412.84 g/mol
Exact Mass412.11
IUPAC Name2-(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
SMILESCOc1ccc(CC(=O)NCc2nnc3c(-c4nc(C)no4)cccn23)cc1Cl
InChIInChI=1S/C19H17ClN6O3/c1-11-22-19(29-25-11)13-4-3-7-26-16(23-24-18(13)26)10-21-17(27)9-12-5-6-15(28-2)14(20)8-12/h3-8H,9-10H2,1-2H3,(H,21,27)
InChIKeyMUWXOYMJEVDNIN-UHFFFAOYSA-N
XLogP2.61
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-(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-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 91631907
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
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]-2-methoxybenzamide
CID 91893036
2-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 91893180
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
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CC(=O)NCc2nnc3c(-c4nc(C)no4)cccn23)cc1Cl.
What is the InChIKey of 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?
The InChIKey is MUWXOYMJEVDNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O3/c1-11-22-19(29-25-11)13-4-3-7-26-16(23-24-18(13)26)10-21-17(27)9-12-5-6-15(28-2)14(20)8-12/h3-8H,9-10H2,1-2H3,(H,21,27).
What are the key properties of 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?
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 has a molecular weight of 412.84 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91631915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).