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

C17H12Cl2N6O2 — CID 91817976

IUPAC3,4-dichloro-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCc1noc(-c2cccn3c(CNC(=O)c4ccc(Cl)c(Cl)c4)nnc23)n1
InChIInChI=1S/C17H12Cl2N6O2/c1-9-21-17(27-24-9)11-3-2-6-25-14(22-23-15(11)25)8-20-16(26)10-4-5-12(18)13(19)7-10/h2-7H,8H2,1H3,(H,20,26)
InChIKeyRGSAOFJLHYYETR-UHFFFAOYSA-N
MW403.23 g/mol
LogP3.32
Rot. Bonds4

About 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

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 (PubChem CID 91817976) has the molecular formula C17H12Cl2N6O2 and a molecular weight of 403.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,4-dichloro-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID91817976
Molecular FormulaC17H12Cl2N6O2
Molecular Weight403.23 g/mol
Exact Mass402.04
IUPAC Name3,4-dichloro-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCc1noc(-c2cccn3c(CNC(=O)c4ccc(Cl)c(Cl)c4)nnc23)n1
InChIInChI=1S/C17H12Cl2N6O2/c1-9-21-17(27-24-9)11-3-2-6-25-14(22-23-15(11)25)8-20-16(26)10-4-5-12(18)13(19)7-10/h2-7H,8H2,1H3,(H,20,26)
InChIKeyRGSAOFJLHYYETR-UHFFFAOYSA-N
XLogP3.32
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 91631907
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
3,4-difluoro-N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893046
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
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-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-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91892949
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(-c2cccn3c(CNC(=O)c4ccc(Cl)c(Cl)c4)nnc23)n1.
What is the InChIKey of 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?
The InChIKey is RGSAOFJLHYYETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N6O2/c1-9-21-17(27-24-9)11-3-2-6-25-14(22-23-15(11)25)8-20-16(26)10-4-5-12(18)13(19)7-10/h2-7H,8H2,1H3,(H,20,26).
What are the key properties of 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?
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 has a molecular weight of 403.23 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91817976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).